data_2m8e_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2m8e _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 8.5 tt0 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.19 -51.58 68.39 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.36 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.76 -41.85 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.077 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -63.02 -44.25 96.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.566 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 31.9 mmmt -72.83 -41.43 64.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.174 0.511 . . . . 0.0 110.296 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' O ' HD21 ' A' ' 20' ' ' LEU . 30.2 ttpt -62.49 -50.03 73.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.969 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.0 tp -59.36 -39.15 78.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 120.795 0.331 . . . . 0.0 110.939 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.3 t -69.29 -48.92 65.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.43 -39.8 92.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.457 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD21 ' O ' ' A' ' 16' ' ' LYS . 4.5 mm? -70.18 -24.8 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.666 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -67.89 -28.08 67.21 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.067 0.461 . . . . 0.0 110.265 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -79.32 -20.78 47.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.828 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.6 m -81.84 -46.35 14.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.732 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.42 -63.58 4.32 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.918 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m -73.96 -4.04 32.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -115.1 8.9 15.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.253 0.549 . . . . 0.0 110.671 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.09 -40.44 74.96 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.019 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.08 -23.56 69.72 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.477 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.78 -54.88 15.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.731 0.3 . . . . 0.0 111.132 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 pt -68.76 -31.16 49.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.476 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 17.9 m -75.43 -11.52 60.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HB2' ' HZ1' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -85.73 -44.58 12.41 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -75.93 -55.28 5.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.796 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.447 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 73.4 mt -94.51 -12.18 28.16 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -174.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER 35.98 68.25 0.25 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.637 0.775 . . . . 0.0 112.736 -177.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.24 124.91 87.04 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.663 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -64.85 155.31 68.32 Favored 'Trans proline' 0 C--O 1.241 0.641 0 C-N-CA 122.643 2.229 . . . . 0.0 112.277 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -56.84 -43.2 80.88 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.594 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -59.76 -37.67 79.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.198 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.8 m -72.54 -41.38 65.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.1 p -73.35 -34.56 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.249 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.406 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.9 OUTLIER -70.89 -30.86 67.34 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.982 0.42 . . . . 0.0 110.793 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 p -78.06 -37.39 46.83 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.665 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.05 -30.73 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.7 m -67.08 -30.98 51.29 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.488 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -64.02 -46.83 82.71 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.21 -41.79 94.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.629 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -63.22 -47.84 80.82 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 120.61 0.243 . . . . 0.0 110.718 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.71 -31.91 73.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.104 0.478 . . . . 0.0 110.46 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -71.7 -46.41 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.513 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -75.46 -14.95 60.46 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.734 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.611 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 175.73 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 C--O 1.235 0.33 0 CA-C-O 120.682 0.277 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -63.41 -45.31 91.57 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.63 -40.85 97.91 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.973 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.573 ' O ' HG21 ' A' ' 18' ' ' VAL . 35.0 ttt180 -64.82 -53.17 51.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.764 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -62.13 -31.62 72.11 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.916 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' O ' HD11 ' A' ' 20' ' ' LEU . 83.9 tttt -73.42 -47.6 40.44 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.674 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 14' ' ' ARG . 12.6 tt -61.86 -26.65 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.625 0.25 . . . . 0.0 110.991 -178.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 14' ' ' ARG . 77.6 t -62.79 -47.09 94.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.37 -40.25 95.48 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.18 0.514 . . . . 0.0 110.165 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.51 HD11 ' O ' ' A' ' 16' ' ' LYS . 8.3 mp -60.95 -33.52 73.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.081 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -66.23 -41.02 90.61 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.136 0.493 . . . . 0.0 110.487 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -72.84 -17.23 61.57 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.887 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -90.0 -29.96 18.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.582 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.97 -70.99 2.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.249 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.9 t -61.83 -37.36 84.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.87 0.367 . . . . 0.0 111.37 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.439 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . 3.8 m -67.16 -18.47 65.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.498 -178.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.95 -49.35 58.75 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.1 -31.15 76.93 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.445 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.71 -55.42 32.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 111.359 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.0 pt -71.48 -32.79 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.453 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.434 ' HA ' HG11 ' A' ' 36' ' ' VAL . 49.2 m -61.82 -35.14 77.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.996 0.427 . . . . 0.0 110.819 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.495 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 10.9 tmtt? -80.6 -39.88 26.73 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.669 178.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -69.16 -63.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 pp -95.95 -4.24 43.72 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' SER . 75.2 mmtt 57.7 77.51 0.28 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.029 0.443 . . . . 0.0 111.663 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 31' ' ' SER . 10.5 p -91.47 136.81 26.38 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.428 ' O ' HG22 ' A' ' 41' ' ' VAL . 19.5 Cg_endo -59.98 96.05 0.1 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.621 2.214 . . . . 0.0 111.307 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -66.16 -26.41 67.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.061 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 m -65.39 -33.54 76.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.0 109.646 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.529 ' O ' HG21 ' A' ' 43' ' ' THR . 22.2 t -77.53 -38.62 48.4 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.29 177.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 37' ' ' PRO . 83.9 t -61.6 -50.75 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.058 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 13.7 pt20 -62.1 -28.49 69.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.529 HG21 ' O ' ' A' ' 40' ' ' SER . 2.5 t -81.82 -34.24 30.33 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.137 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 pt -79.73 -30.48 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.403 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.654 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 29.4 m -67.28 -35.47 73.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.103 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 84.8 mtp180 -62.92 -38.82 92.5 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -68.4 -40.5 81.29 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.474 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -33.38 74.07 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.387 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 34.6 mmtp -59.65 -35.77 75.07 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.965 0.412 . . . . 0.0 110.293 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -74.05 -47.04 39.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.495 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -68.08 -25.28 65.26 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.473 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.28 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.783 178.133 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.03 -51.09 68.1 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.874 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.92 -44.02 94.54 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.522 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' O ' HG22 ' A' ' 18' ' ' VAL . 11.6 mmt85 -58.41 -48.73 79.73 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.616 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -70.55 -39.32 74.04 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.113 0.483 . . . . 0.0 110.538 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HA ' ' OD2' ' A' ' 19' ' ' ASP . 26.2 ttmt -62.46 -46.29 89.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.873 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.5 tp -61.26 -30.18 47.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.258 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 14' ' ' ARG . 95.0 t -70.51 -54.23 19.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.556 ' OD2' ' HA ' ' A' ' 16' ' ' LYS . 3.0 p30 -64.65 -32.06 73.56 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.58 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 84.5 mt -68.39 -18.78 64.53 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.978 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -76.39 -20.79 56.78 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.158 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -87.13 -27.65 22.96 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 m -66.1 -50.09 65.26 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.819 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.68 -77.27 0.93 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.223 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -60.28 -40.02 88.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.796 0.332 . . . . 0.0 111.706 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -64.86 -20.67 66.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.334 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 tp -67.08 -38.9 86.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 109.965 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.41 -29.63 67.92 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.36 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.13 59.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.8 pt -68.18 -26.51 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.387 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.58 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 67.6 m -67.74 -28.83 67.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.938 0.399 . . . . 0.0 110.658 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -89.48 -44.48 10.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -80.52 -44.38 19.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -93.97 -23.72 17.94 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.644 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 31' ' ' SER . 62.3 mttp 57.38 68.97 0.78 Allowed 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.252 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 m -79.0 130.39 70.05 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.865 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.428 ' O ' HG21 ' A' ' 41' ' ' VAL . 20.3 Cg_endo -63.63 122.16 10.16 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.473 2.115 . . . . 0.0 111.688 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -58.33 -33.64 69.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.702 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.1 m -59.32 -39.17 82.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.499 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.5 m -76.95 -33.29 57.69 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.424 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 45' ' ' VAL . 85.2 t -59.77 -47.29 91.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.311 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 53.5 mt-30 -62.08 -28.06 69.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.021 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 m -74.16 -46.27 43.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 pp -74.51 -27.0 20.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.448 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 27.2 m -67.2 -39.21 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.629 178.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 37.2 mmt180 -72.33 -30.82 65.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -65.0 -61.84 1.91 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.648 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.448 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 5.3 p90 -64.59 -31.07 72.13 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.479 -176.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -70.32 -50.75 36.0 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -71.37 -35.67 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.948 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -64.88 -36.32 83.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.439 178.651 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.549 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 25.6 t70 -68.4 -45.3 73.05 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.204 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.68 -44.95 86.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.126 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.453 ' O ' HG22 ' A' ' 18' ' ' VAL . 45.1 ttp180 -63.4 -47.05 83.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.133 178.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 15' ' ' LYS . 34.7 ttpt -57.31 -44.78 84.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.443 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 33.3 mmtp -63.58 -54.45 35.75 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.572 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 tt -57.48 -40.83 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.66 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 14' ' ' ARG . 91.6 t -65.26 -45.98 92.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 120.971 0.415 . . . . 0.0 110.186 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.98 -40.37 97.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.896 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.436 HD22 ' O ' ' A' ' 16' ' ' LYS . 4.2 mm? -64.26 -38.27 90.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -63.36 -50.17 70.99 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.094 0.473 . . . . 0.0 110.125 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -69.66 -16.71 63.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.551 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.7 t -69.13 -43.83 73.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.32 -62.2 3.44 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.793 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 t -65.63 -25.31 67.31 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 122.388 0.275 . . . . 0.0 111.209 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -102.01 13.39 34.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.863 0.363 . . . . 0.0 111.562 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.24 -32.55 74.04 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 111.097 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.1 -31.4 66.6 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.862 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.14 -51.28 59.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.756 0.312 . . . . 0.0 111.333 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.79 -37.34 79.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 120.744 0.307 . . . . 0.0 111.406 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 t -72.02 -26.65 62.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -81.23 -40.68 23.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.324 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -88.84 -53.46 4.6 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.541 -0.463 . . . . 0.0 112.226 -178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.5 -34.96 53.97 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.897 -177.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 7.2 mtpm? 55.21 49.43 17.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.134 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.3 m -61.1 133.5 92.7 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.459 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.483 ' O ' HG21 ' A' ' 41' ' ' VAL . 51.8 Cg_exo -55.26 138.12 78.71 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.934 2.422 . . . . 0.0 112.146 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -58.02 -47.31 83.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.973 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.3 m -62.83 -32.23 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.999 0.428 . . . . 0.0 110.763 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -74.95 -30.95 61.36 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.743 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 37' ' ' PRO . 76.1 t -59.32 -53.7 44.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -60.72 -33.9 73.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.421 179.249 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.3 m -72.15 -43.1 65.15 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.336 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.445 ' O ' HD12 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -70.3 -40.96 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 116.811 -0.177 . . . . 0.0 110.794 -178.25 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.709 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 26.8 m -66.7 -30.39 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 121.079 0.466 . . . . 0.0 110.52 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -73.53 -38.53 65.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.239 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -59.15 -58.38 8.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.163 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.709 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 25.8 p90 -69.2 -28.09 66.07 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.551 -177.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -69.32 -51.49 36.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -61.92 -47.22 85.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.426 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -58.94 -53.89 53.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.493 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.796 -177.015 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.862 0.363 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.28 -39.35 86.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.573 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.2 tp -70.17 -34.46 73.03 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.887 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -64.08 -35.25 80.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -74.56 -34.34 62.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.269 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -60.09 -50.64 72.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.317 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.8 tt -62.47 -27.07 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 120.963 0.411 . . . . 0.0 110.75 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -81.21 -39.61 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.244 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.43 -48.57 77.23 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.198 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.39 -18.72 65.24 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.584 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -41.51 71.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.763 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -77.45 -12.43 59.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.384 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.7 m -76.07 -29.19 57.89 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.199 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.33 -60.1 4.85 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.117 -0.563 . . . . 0.0 113.008 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 p -76.46 2.1 14.64 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -110.58 11.68 22.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.638 0.256 . . . . 0.0 111.282 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.36 -51.26 46.36 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.456 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.73 71.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.067 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.06 -63.09 1.19 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.632 0.253 . . . . 0.0 110.606 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.8 pt -62.16 -36.01 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.923 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.49 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 34.2 t -62.33 -42.96 99.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.558 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -92.1 -43.15 9.54 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.578 -0.449 . . . . 0.0 112.095 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -60.76 -56.43 21.34 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 111.166 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -77.95 -28.79 49.63 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 31' ' ' SER . 35.6 ttpt 57.21 34.02 24.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.013 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -72.27 130.68 85.87 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.258 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -50.51 130.26 29.07 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.712 2.275 . . . . 0.0 111.34 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -59.61 -23.37 62.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 m -69.67 -39.09 77.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.944 0.402 . . . . 0.0 109.956 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 t -70.82 -35.72 72.62 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 44' ' ' ILE . 62.5 t -67.58 -43.2 87.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.999 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -60.19 -42.47 95.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.78 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 12.7 t -70.96 -31.91 68.61 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.956 -177.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 41' ' ' VAL . 2.6 pp -79.54 -33.3 15.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.223 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.16 -30.41 27.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.434 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -61.77 -44.94 95.9 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.047 0.451 . . . . 0.0 109.869 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 43' ' ' THR . 95.1 mttt -65.42 -38.57 90.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.208 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -66.4 -44.16 83.77 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.835 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -61.54 -34.6 75.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.645 0.259 . . . . 0.0 110.72 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -65.37 -41.2 94.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -66.69 -30.03 70.18 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.703 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.709 177.229 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 C--O 1.235 0.341 0 CA-C-O 121.329 0.585 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 22.6 t70 -58.31 -33.98 70.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.144 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.75 -38.34 86.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.196 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -67.31 -44.73 78.48 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.388 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -73.19 -28.65 62.32 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.679 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 7.1 tptp -68.55 -48.38 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 -178.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 21' ' ' HIS . 10.0 tp -61.58 -29.92 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.8 t -80.93 -45.48 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.873 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.2 -55.59 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.806 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.92 -23.09 65.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.914 0.387 . . . . 0.0 111.244 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.569 ' HB2' ' O ' ' A' ' 17' ' ' ILE . 65.2 t60 -61.04 -41.25 96.23 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.422 0.629 . . . . 0.0 110.049 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HE3' ' OH ' ' A' ' 48' ' ' TYR . 4.7 mtpm? -90.11 -5.79 56.14 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.531 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -80.38 -19.74 45.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.181 0.515 . . . . 0.0 109.849 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.24 -73.08 2.7 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 113.304 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p -65.23 -21.71 66.78 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.936 0.398 . . . . 0.0 111.712 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -84.53 5.44 27.61 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.539 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -46.51 83.58 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.16 -17.1 71.67 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.127 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 33' ' ' ARG . . . -76.41 -53.47 8.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.669 0.271 . . . . 0.0 110.634 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.53 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 7.5 pt -61.68 -39.49 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.437 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.8 t -63.41 -30.95 72.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.204 0.526 . . . . 0.0 110.358 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -80.05 -60.5 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.894 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.2 ptm180 -76.86 -39.72 50.12 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.53 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 4.4 mm? -80.54 -36.33 33.24 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.882 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.3 tttp 59.21 46.21 13.25 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.525 0.678 . . . . 0.0 109.818 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 10.9 m -94.03 136.63 23.5 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.535 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 36' ' ' VAL . 29.7 Cg_exo -62.87 149.83 90.24 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.482 2.121 . . . . 0.0 111.281 177.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -61.09 -34.59 75.18 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.502 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -59.48 -38.5 81.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.666 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.5 m -68.0 -42.35 80.85 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 109.924 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.98 -48.34 88.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.406 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 17.1 mm-40 -60.75 -29.97 69.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.063 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.8 m -74.79 -43.02 56.96 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.426 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 pp -75.59 -30.52 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.512 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 30.3 m -68.92 -39.15 79.5 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.186 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 99.6 mtt180 -64.16 -38.07 89.74 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.585 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.01 -43.3 88.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.302 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.408 ' OH ' ' HE3' ' A' ' 22' ' ' LYS . 73.6 t80 -68.27 -43.36 77.96 Favored 'General case' 0 N--CA 1.422 -1.835 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.547 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 33.2 mmmt -59.77 -43.74 94.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.748 0.308 . . . . 0.0 110.717 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -71.27 -30.18 65.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.19 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -74.54 -29.52 61.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.519 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.502 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.477 ' OD2' ' HE2' ' A' ' 16' ' ' LYS . 27.5 t70 -67.34 -41.38 85.31 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.987 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.558 ' O ' HG12 ' A' ' 17' ' ' ILE . 59.6 tp -56.16 -52.19 65.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.162 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.406 ' O ' HG22 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -58.96 -40.26 84.2 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 178.584 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -60.17 -36.62 77.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.245 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HE2' ' OD2' ' A' ' 12' ' ' ASP . 67.3 mttm -77.64 -42.44 34.83 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.258 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.558 HG12 ' O ' ' A' ' 13' ' ' LEU . 33.3 mm -50.8 -50.6 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.431 HG23 ' CD2' ' A' ' 48' ' ' TYR . 52.8 t -61.34 -47.69 92.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.09 -47.25 87.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.235 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.86 -34.0 77.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.583 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -66.76 -35.56 80.38 Favored 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.603 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.76 -20.06 60.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.002 0.429 . . . . 0.0 110.179 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.0 m -79.08 -21.94 45.99 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.672 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.82 -89.16 1.06 Allowed Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.161 -0.542 . . . . 0.0 113.554 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.1 m -63.06 -42.66 99.74 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -59.8 -22.04 61.66 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.704 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.76 -35.66 81.32 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.366 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.8 -34.33 89.64 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.242 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -62.65 -50.67 70.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.462 0.172 . . . . 0.0 111.38 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.2 pt -69.25 -30.4 45.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.293 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 t -64.88 -37.62 88.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -73.79 -36.02 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.643 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 97.0 mtt180 -74.01 -49.96 21.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.006 -178.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.2 mt -82.58 -31.19 29.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.758 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 58.8 31.93 21.72 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.638 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -67.82 127.21 93.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -47.01 129.09 14.58 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.046 2.498 . . . . 0.0 112.313 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -56.68 -35.1 68.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.341 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -63.53 -37.46 87.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.964 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -73.49 -36.84 65.83 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.226 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.18 -39.32 84.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.132 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -58.68 -36.01 73.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.673 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.0 m -66.15 -43.39 87.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.433 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.7 mm -65.25 -50.38 73.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.252 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.713 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 34.3 m -60.73 -42.01 90.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.017 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -70.49 -31.07 68.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.766 0.317 . . . . 0.0 110.835 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.36 -39.83 77.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.231 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.713 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 2.2 p90 -75.97 -21.77 56.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.492 178.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 68.2 mttm -70.54 -37.19 74.04 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.56 -34.67 72.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 176.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -59.83 -40.75 89.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.739 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.339 179.237 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--O 1.234 0.255 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.91 -46.12 89.31 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.194 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.3 -31.98 70.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -69.77 -31.66 69.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.147 0.498 . . . . 0.0 110.47 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -80.15 -32.69 38.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.039 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -64.8 -49.21 71.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.811 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.8 tp -58.69 -30.88 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.933 0.397 . . . . 0.0 110.616 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.84 -52.08 18.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.29 -37.36 86.95 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.553 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.9 mt -77.65 -13.33 59.93 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.362 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.53 -15.89 44.26 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.331 0.586 . . . . 0.0 109.592 175.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -75.31 -41.94 55.7 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.9 p -77.62 -42.35 35.26 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.845 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.59 -30.3 2.54 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.758 -0.655 . . . . 0.0 113.808 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 p -72.0 -11.94 61.0 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.474 ' O ' HG12 ' A' ' 30' ' ' ILE . 9.7 m -102.27 2.02 36.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.677 0.275 . . . . 0.0 111.221 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.45 -56.14 25.0 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.588 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.37 -24.85 71.0 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 121.224 -0.512 . . . . 0.0 113.128 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.14 -55.68 7.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.767 0.317 . . . . 0.0 111.25 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 26' ' ' SER . 21.5 pt -67.71 -38.45 80.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 p -65.17 -28.64 69.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.0 0.429 . . . . 0.0 110.672 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.552 ' HB2' ' HZ1' ' A' ' 32' ' ' LYS . 5.1 ttmp? -83.76 -48.75 9.77 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.736 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -62.17 -49.04 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -88.94 -7.82 55.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.339 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 56.43 61.3 2.74 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.224 0.535 . . . . 0.0 110.128 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -80.6 128.51 71.95 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.276 -178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.33 120.32 8.16 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.462 2.108 . . . . 0.0 111.504 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -55.21 -33.13 62.8 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.1 m -78.56 -40.48 34.69 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.069 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 m -71.09 -33.09 69.84 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.796 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.55 -28.19 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.183 0.516 . . . . 0.0 109.906 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.403 ' HA ' HG23 ' A' ' 45' ' ' VAL . 9.2 tt0 -76.44 -27.35 56.17 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.259 0.552 . . . . 0.0 109.582 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.5 m -67.42 -46.66 72.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.82 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.45 81.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.403 HG23 ' HA ' ' A' ' 42' ' ' GLN . 28.6 m -72.05 -24.65 22.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.538 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -69.97 -47.94 60.27 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.507 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.28 -29.55 67.46 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.927 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -62.88 -39.78 95.51 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.95 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -66.28 -45.25 81.09 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.222 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -64.11 -34.37 77.89 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.517 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -69.07 -24.02 64.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 110.168 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.85 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.115 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 120.675 0.274 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -52.16 -43.2 63.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.555 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.86 -45.15 79.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.381 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.469 ' O ' HG21 ' A' ' 18' ' ' VAL . 58.9 ttp180 -64.08 -40.17 95.67 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.749 -178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -71.31 -36.66 71.7 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.648 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -60.95 -52.23 65.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.192 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tp -59.68 -39.71 80.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.893 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 14' ' ' ARG . 96.4 t -64.46 -50.3 76.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 120.674 0.273 . . . . 0.0 110.919 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 9.5 m-20 -61.58 -38.14 86.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.91 -28.14 64.3 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.514 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -68.33 -43.5 77.41 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.026 0.441 . . . . 0.0 109.963 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 19' ' ' ASP . 44.6 mtpt -59.3 -44.48 92.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.043 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.8 m -72.51 -39.97 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.335 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.98 63.04 4.05 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.999 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -145.33 -74.37 0.23 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.1 m -77.64 36.48 0.21 Allowed 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -174.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.52 -38.1 77.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.078 0.466 . . . . 0.0 110.062 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.17 -33.27 86.8 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.548 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.09 82.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.959 0.409 . . . . 0.0 110.104 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.4 mt -60.41 -33.58 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.416 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 42.9 m -59.84 -35.52 74.91 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.565 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -95.14 -34.68 12.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.496 -0.482 . . . . 0.0 112.181 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -80.04 -30.3 39.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -119.06 -2.64 10.74 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 31' ' ' SER . 25.5 pttm 43.51 36.18 1.12 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.452 0.701 . . . . 0.0 112.006 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -72.77 124.36 90.66 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.564 -177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -81.78 159.35 18.81 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 122.428 2.085 . . . . 0.0 111.383 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -59.63 -25.28 64.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.971 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -55.3 -42.25 73.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.113 0.482 . . . . 0.0 110.156 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 m -81.93 -28.93 32.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.968 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.3 t -70.84 -57.69 7.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -59.29 -34.02 71.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.7 p -74.82 -29.0 60.93 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.663 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -39.09 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.957 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.678 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 31.2 m -65.5 -35.85 76.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-O 120.771 0.32 . . . . 0.0 111.2 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -72.19 -29.89 64.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.669 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -69.63 -57.02 5.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.358 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.678 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 19.4 p90 -66.86 -34.15 77.18 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 19.4 ptpt -71.91 -31.85 66.8 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.528 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -74.48 -46.0 42.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.075 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -57.32 -50.43 72.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.477 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 C-N-CA 120.77 -0.728 . . . . 0.0 114.179 -176.583 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 22.1 mt-30 . . . . . 0 N--CA 1.449 -0.515 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -65.92 -43.74 87.22 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.775 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.6 tp -71.77 -33.27 68.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.369 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -60.42 -41.34 93.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 52.4 mtmt -67.54 -23.75 65.47 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.488 ' O ' HD22 ' A' ' 20' ' ' LEU . 1.2 tmtp? -65.84 -44.38 85.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.39 -47.35 92.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.223 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.21 -56.26 18.23 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.051 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.55 -42.88 95.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.491 HD13 ' CB ' ' A' ' 26' ' ' SER . 4.5 mm? -69.61 -21.65 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.6 -32.76 74.55 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 174.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -16.02 56.54 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.505 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -78.25 -41.18 34.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.649 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.4 -70.64 1.92 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.917 -0.659 . . . . 0.0 114.068 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.9 t -64.59 -24.43 67.59 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.491 ' CB ' HD13 ' A' ' 20' ' ' LEU . 20.2 m -82.03 4.26 23.57 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.96 -29.43 69.29 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.042 0.449 . . . . 0.0 110.74 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.49 -27.25 72.89 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.961 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.18 -40.77 67.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.001 0.429 . . . . 0.0 109.96 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.5 mt -64.66 -41.46 92.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.631 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.52 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 5.2 p -71.93 -32.23 67.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.032 -178.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 32' ' ' LYS . 1.4 tmtp? -79.84 -48.45 13.5 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -81.88 -49.34 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.401 ' C ' ' H ' ' A' ' 36' ' ' VAL . 42.0 tp -94.37 -8.8 37.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.639 0.257 . . . . 0.0 111.296 -176.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 31' ' ' SER . 73.2 mmtt 71.84 -5.75 1.62 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.417 0.687 . . . . 0.0 111.431 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' LEU . 11.9 p 42.4 96.38 0.04 OUTLIER Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.209 1.404 . . . . 0.0 114.014 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.83 92.8 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.499 2.132 . . . . 0.0 110.641 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -50.76 -52.16 43.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -173.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -63.92 -41.39 97.67 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.091 0.472 . . . . 0.0 111.657 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.43 ' O ' HG12 ' A' ' 44' ' ' ILE . 19.7 m -74.49 -40.75 61.64 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.524 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.52 -37.27 79.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.926 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -39.23 83.61 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 m -68.41 -31.4 70.71 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.459 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 40' ' ' SER . 46.1 mm -73.76 -49.19 36.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.625 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 30.2 m -61.1 -37.63 77.81 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.114 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -70.21 -19.65 63.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.195 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -89.33 -55.57 3.61 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.625 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 16.6 p90 -68.15 -26.13 65.61 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.08 -0.648 . . . . 0.0 111.96 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -76.8 -39.74 50.46 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.121 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -70.98 -39.54 72.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.562 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -77.51 -37.57 50.77 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.687 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 113.69 -177.779 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.912 0.387 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -64.51 -39.88 94.6 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.181 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.78 -44.0 78.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.096 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -64.48 -40.96 96.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.368 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.78 -29.16 67.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.144 0.497 . . . . 0.0 110.107 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.615 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.6 tppt? -70.92 -56.14 6.89 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.744 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 tt -60.39 -39.49 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.2 m -65.43 -35.18 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 121.111 0.481 . . . . 0.0 110.84 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -74.42 -37.88 63.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.787 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 66.7 mt -68.13 -29.25 68.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.595 178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -60.71 -37.06 80.41 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.095 0.474 . . . . 0.0 110.071 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -77.23 -26.09 52.27 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.0 m -73.25 -51.09 18.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.91 -81.5 0.29 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.848 -0.692 . . . . 0.0 113.618 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.6 t -59.47 -32.55 70.35 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -176.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.1 p -63.38 -23.85 67.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.9 -40.95 87.85 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.92 -28.95 74.0 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.444 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.32 -52.02 45.48 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.532 0.206 . . . . 0.0 110.469 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.2 pt -69.07 -28.51 39.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.512 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -63.11 -44.4 95.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.08 0.467 . . . . 0.0 109.987 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -75.05 -32.19 61.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.426 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -77.43 -63.51 1.36 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.931 -176.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 pp -109.91 -3.5 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt 65.98 96.49 0.05 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.737 0.648 . . . . 0.0 111.279 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -71.35 112.99 15.73 Favored Pre-proline 0 C--N 1.313 -0.987 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -71.45 125.47 11.28 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.292 1.995 . . . . 0.0 111.267 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.408 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -58.35 -42.73 87.56 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.701 -178.32 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.4 t -62.63 -34.69 77.55 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 m -80.93 -45.33 16.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.727 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.408 HG11 ' HA ' ' A' ' 38' ' ' ARG . 7.8 p -64.79 -42.11 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.698 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -71.15 -26.36 62.96 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -177.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.2 p -79.29 -38.66 34.82 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.944 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 pp -74.31 -34.37 36.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.435 ' HA ' ' CD2' ' A' ' 48' ' ' TYR . 30.1 m -65.98 -34.12 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.853 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -80.03 -34.14 38.59 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.301 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -69.55 -47.59 63.19 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.542 -177.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 45' ' ' VAL . 2.8 p90 -67.57 -28.71 68.0 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.622 -179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -70.47 -41.26 72.99 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.942 0.401 . . . . 0.0 109.991 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -68.17 -27.99 66.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.951 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -81.73 -10.35 59.39 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.855 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.249 0 CA-C-N 116.415 -0.357 . . . . 0.0 112.621 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 120.861 0.362 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.82 -39.6 92.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.604 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.57 -43.33 73.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.509 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -66.41 -38.14 86.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.705 0.288 . . . . 0.0 111.498 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -70.28 -26.83 63.98 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.89 177.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -76.43 -44.37 36.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.417 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.3 tp -60.25 -38.07 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.885 0.374 . . . . 0.0 110.714 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.6 -37.98 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.143 0.497 . . . . 0.0 109.793 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.13 -44.38 97.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.613 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.32 -25.51 65.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.177 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -70.63 -25.85 63.21 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.891 0.377 . . . . 0.0 110.286 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.66 -14.78 57.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.347 0.594 . . . . 0.0 109.518 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.1 t -83.68 -47.32 11.35 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . 82.4 -69.12 3.4 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.804 -0.635 . . . . 0.0 113.798 175.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 m -70.32 -14.83 62.75 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.6 t -98.59 9.15 43.89 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-O 121.033 0.444 . . . . 0.0 110.695 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -68.28 -38.5 81.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.527 -178.752 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.5 96.65 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.405 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.56 -55.86 24.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.75 0.31 . . . . 0.0 111.214 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 pt -68.93 -31.61 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.726 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.503 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 52.6 m -64.42 -38.59 91.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.756 0.312 . . . . 0.0 111.143 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.07 -42.59 17.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.731 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -63.86 -60.04 3.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.269 -177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.14 -11.25 55.54 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.856 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 31' ' ' SER . 85.4 tttt 57.77 76.33 0.33 Allowed 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.85 0.719 . . . . 0.0 110.39 -177.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.3 t -107.34 107.91 61.07 Favored Pre-proline 0 C--N 1.313 -0.99 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.187 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.4 140.22 93.3 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.67 2.246 . . . . 0.0 111.264 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -61.26 -27.06 68.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.61 -178.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -62.53 -37.81 87.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.197 0.523 . . . . 0.0 109.742 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.1 t -73.56 -37.45 65.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 45' ' ' VAL . 93.0 t -59.37 -48.65 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.171 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -55.88 -37.84 69.36 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.622 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.6 m -62.63 -44.29 96.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.442 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 pp -81.88 -37.15 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.718 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 31.4 m -65.76 -40.16 86.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.91 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 79.5 ttt180 -67.53 -36.75 81.6 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 110.58 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -67.7 -49.8 60.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.61 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.718 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 3.1 p90 -73.83 -31.96 63.47 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.066 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 46' ' ' ARG . 19.5 pttp -71.87 -24.78 61.73 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.995 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -75.03 -42.02 58.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.941 0.401 . . . . 0.0 110.744 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -81.21 -38.41 27.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.066 0.46 . . . . 0.0 110.336 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.059 0 CA-C-N 115.864 -0.607 . . . . 0.0 113.762 -177.603 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.28 -53.25 46.83 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.314 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.55 -46.35 84.01 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.193 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.456 ' O ' HG23 ' A' ' 18' ' ' VAL . 43.5 ttp180 -61.43 -37.74 84.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.239 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -72.35 -48.44 41.83 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.178 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.618 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.7 mmtp -66.29 -41.21 90.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.977 -177.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.17 -35.27 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 120.744 0.307 . . . . 0.0 110.87 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 14' ' ' ARG . 94.1 t -65.07 -49.42 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 120.857 0.36 . . . . 0.0 110.111 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.5 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 22.0 m-20 -66.2 -32.57 74.08 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.614 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 90.9 mt -67.62 -34.34 76.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.835 0.35 . . . . 0.0 110.327 177.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -73.56 -26.63 60.93 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.007 0.432 . . . . 0.0 110.42 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.5 ' HD3' ' HA ' ' A' ' 19' ' ' ASP . 45.6 mtpt -77.47 -5.61 50.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.022 177.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 m -106.89 -38.94 5.92 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.644 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.22 -62.51 4.62 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 116.057 -0.519 . . . . 0.0 113.349 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.1 p -69.6 -6.23 29.76 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -85.45 -8.85 58.16 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.816 0.341 . . . . 0.0 111.195 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.87 -37.15 81.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 32' ' ' LYS . . . -57.3 -45.23 93.0 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.87 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 33' ' ' ARG . . . -60.47 -57.15 13.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.689 0.28 . . . . 0.0 111.485 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.8 pt -63.8 -30.04 48.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -67.39 -40.07 85.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.776 0.322 . . . . 0.0 111.039 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' GLY . 14.2 ptmm? -84.22 -32.18 24.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.1 ptm180 -91.05 -49.67 6.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.447 -178.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.525 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 53.0 tp -96.41 -20.56 18.35 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -174.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.525 ' HD2' ' C ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 39.23 63.25 0.98 Allowed 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 121.819 0.818 . . . . 0.0 112.128 -177.138 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.8 p -71.27 133.6 85.36 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.84 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.7 125.76 20.14 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.88 2.387 . . . . 0.0 112.112 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 2.6 ptp180 -60.5 -28.55 68.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.635 -178.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 p -60.07 -35.76 75.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.027 0.442 . . . . 0.0 110.578 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.48 ' O ' HG12 ' A' ' 44' ' ' ILE . 32.1 t -80.95 -35.13 32.66 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.962 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.5 t -62.94 -52.67 56.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.261 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 38' ' ' ARG . 12.9 mm100 -66.06 -30.93 71.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.395 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.0 t -76.31 -26.27 55.67 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.95 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 40' ' ' SER . 38.1 mm -79.06 -40.55 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.954 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.609 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 35.1 m -60.27 -40.54 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -77.24 -21.68 53.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.149 0.5 . . . . 0.0 110.612 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -82.65 -47.48 12.0 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.594 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.609 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 2.9 p90 -64.92 -32.03 73.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.295 -177.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -67.11 -39.08 86.61 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.439 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -68.56 -35.85 77.97 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.229 0.538 . . . . 0.0 110.09 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -73.12 -19.62 61.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.295 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.017 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.412 -178.5 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 . . . . . 0 N--CA 1.463 0.224 0 CA-C-O 120.598 0.237 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.593 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 24.4 t70 -64.03 -47.59 79.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.773 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -55.85 -47.83 76.59 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.358 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -59.55 -48.76 80.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.945 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -60.38 -32.85 71.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.572 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 33.0 mmtp -74.07 -55.72 5.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.221 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 tp -60.99 -42.09 91.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.91 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.49 -43.53 90.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.824 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.11 -48.28 82.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.4 -25.02 66.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.048 -0.523 . . . . 0.0 112.26 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -67.73 -27.97 67.24 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.49 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -11.86 43.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.972 0.415 . . . . 0.0 110.521 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 m -82.75 -49.44 9.74 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.95 -51.33 4.31 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 114.726 0.65 . . . . 0.0 114.726 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.1 t -56.58 -42.94 79.51 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.1 m -96.17 21.37 8.98 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.16 -46.52 70.53 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.19 -35.59 92.29 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.68 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.17 64.44 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.617 0.246 . . . . 0.0 111.299 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.8 pt -70.53 -34.57 57.99 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 p -65.15 -32.71 74.54 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.031 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -83.48 -39.53 20.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.459 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -63.54 -43.92 95.73 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.322 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.2 tp -82.77 -25.05 33.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.124 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt 57.65 65.38 1.34 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.678 0.752 . . . . 0.0 109.968 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 p -114.62 122.95 33.0 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.788 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -58.6 145.72 94.11 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.633 2.222 . . . . 0.0 112.141 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -53.94 -41.61 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.359 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -62.02 -30.19 70.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.469 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.417 ' O ' HG12 ' A' ' 44' ' ' ILE . 36.2 t -81.09 -28.27 35.31 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.907 0.384 . . . . 0.0 110.307 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.54 -43.08 83.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.427 ' HA ' HG23 ' A' ' 45' ' ' VAL . 55.1 tp60 -59.57 -40.29 86.86 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.431 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 p -67.75 -24.72 65.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.783 0.325 . . . . 0.0 111.719 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 40' ' ' SER . 48.1 mm -85.58 -45.48 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.81 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.658 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 29.1 m -64.55 -39.14 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.558 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -71.77 -26.44 62.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.152 0.501 . . . . 0.0 110.241 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -67.91 -46.16 72.38 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.334 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.658 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 8.6 p90 -76.24 -11.97 60.01 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.722 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 72.7 mmtt -66.85 -48.33 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.195 0.521 . . . . 0.0 109.754 175.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -77.04 -47.47 20.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.313 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -65.19 -37.34 87.02 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.877 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.723 0 C-N-CA 120.396 -0.907 . . . . 0.0 112.728 -179.619 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -124.0 169.93 11.15 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.008 0.433 . . . . 0.0 110.385 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -102.35 -178.54 3.72 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.069 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.59 95.22 1.16 Allowed Glycine 0 N--CA 1.436 -1.306 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.71 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -117.31 114.4 23.53 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -147.65 162.58 38.85 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.423 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -125.75 171.13 10.89 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.622 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -127.37 -63.15 1.06 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.799 0.333 . . . . 0.0 110.405 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.5 mt -123.72 148.84 27.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.515 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 46.7 t -63.51 105.91 0.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 8.5 tt0 -64.35 -33.64 76.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.19 -51.58 68.39 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.36 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.76 -41.85 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.077 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 10' ' ' SER . 75.4 mtp180 -63.02 -44.25 96.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.566 -178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 31.9 mmmt -72.83 -41.43 64.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.174 0.511 . . . . 0.0 110.296 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' O ' HD21 ' A' ' 20' ' ' LEU . 30.2 ttpt -62.49 -50.03 73.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.969 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.0 tp -59.36 -39.15 78.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 120.795 0.331 . . . . 0.0 110.939 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.3 t -69.29 -48.92 65.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.43 -39.8 92.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.457 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.407 HD21 ' O ' ' A' ' 16' ' ' LYS . 4.5 mm? -70.18 -24.8 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.666 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -67.89 -28.08 67.21 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.067 0.461 . . . . 0.0 110.265 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -79.32 -20.78 47.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.828 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.6 m -81.84 -46.35 14.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.732 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.42 -63.58 4.32 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.918 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m -73.96 -4.04 32.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -115.1 8.9 15.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.253 0.549 . . . . 0.0 110.671 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.09 -40.44 74.96 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.019 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.08 -23.56 69.72 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.477 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.78 -54.88 15.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.731 0.3 . . . . 0.0 111.132 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 pt -68.76 -31.16 49.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.476 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 17.9 m -75.43 -11.52 60.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HB2' ' HZ1' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -85.73 -44.58 12.41 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -75.93 -55.28 5.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.796 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.447 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 73.4 mt -94.51 -12.18 28.16 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -174.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER 35.98 68.25 0.25 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.637 0.775 . . . . 0.0 112.736 -177.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.24 124.91 87.04 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.663 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -64.85 155.31 68.32 Favored 'Trans proline' 0 C--O 1.241 0.641 0 C-N-CA 122.643 2.229 . . . . 0.0 112.277 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -56.84 -43.2 80.88 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.594 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -59.76 -37.67 79.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.198 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.8 m -72.54 -41.38 65.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.1 p -73.35 -34.56 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.249 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.406 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.9 OUTLIER -70.89 -30.86 67.34 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.982 0.42 . . . . 0.0 110.793 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 p -78.06 -37.39 46.83 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.665 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.05 -30.73 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.7 m -67.08 -30.98 51.29 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.488 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -64.02 -46.83 82.71 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.21 -41.79 94.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.629 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -63.22 -47.84 80.82 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 120.61 0.243 . . . . 0.0 110.718 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.71 -31.91 73.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.104 0.478 . . . . 0.0 110.46 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -71.7 -46.41 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.513 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 15.3 m-70 -75.46 -14.95 60.46 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.734 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.49 -33.88 87.73 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.8 p -98.23 111.3 23.68 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.355 -0.422 . . . . 0.0 109.864 176.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.1 p 51.42 72.51 0.37 Allowed 'General case' 0 C--O 1.239 0.542 0 C-N-CA 123.482 0.713 . . . . 0.0 112.146 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 51' ' ' HIS . 26.5 tt0 -70.01 102.45 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.976 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -67.81 147.27 52.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.947 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 . . . . . 0 C--N 1.308 -1.208 0 CA-C-O 118.701 -0.666 . . . . 0.0 109.825 -178.889 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.481 0 CA-C-O 120.604 0.24 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 p -93.76 157.04 16.34 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.475 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.0 ttp -100.77 121.2 41.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.911 0.386 . . . . 0.0 111.135 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.22 85.66 0.81 Allowed Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -65.85 135.74 55.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.16 0.505 . . . . 0.0 111.291 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 t -159.75 108.44 1.77 Allowed 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.204 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -75.31 129.93 38.22 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.536 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -66.3 143.72 57.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.309 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.7 mm -66.23 93.25 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 121.361 0.6 . . . . 0.0 110.108 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m -101.35 18.24 20.56 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.646 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -56.62 -53.4 58.07 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.485 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -63.41 -45.31 91.57 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.63 -40.85 97.91 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.973 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.573 ' O ' HG21 ' A' ' 18' ' ' VAL . 35.0 ttt180 -64.82 -53.17 51.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.764 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -62.13 -31.62 72.11 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.916 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' O ' HD11 ' A' ' 20' ' ' LEU . 83.9 tttt -73.42 -47.6 40.44 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.674 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 14' ' ' ARG . 12.6 tt -61.86 -26.65 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.625 0.25 . . . . 0.0 110.991 -178.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 14' ' ' ARG . 77.6 t -62.79 -47.09 94.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.37 -40.25 95.48 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.18 0.514 . . . . 0.0 110.165 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.51 HD11 ' O ' ' A' ' 16' ' ' LYS . 8.3 mp -60.95 -33.52 73.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.081 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -66.23 -41.02 90.61 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.136 0.493 . . . . 0.0 110.487 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -72.84 -17.23 61.57 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.887 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -90.0 -29.96 18.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.582 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.97 -70.99 2.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.249 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.9 t -61.83 -37.36 84.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.87 0.367 . . . . 0.0 111.37 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.439 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . 3.8 m -67.16 -18.47 65.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.498 -178.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.95 -49.35 58.75 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.1 -31.15 76.93 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.445 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.71 -55.42 32.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 111.359 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.0 pt -71.48 -32.79 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.453 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.434 ' HA ' HG11 ' A' ' 36' ' ' VAL . 49.2 m -61.82 -35.14 77.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.996 0.427 . . . . 0.0 110.819 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.495 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 10.9 tmtt? -80.6 -39.88 26.73 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.669 178.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -69.16 -63.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 pp -95.95 -4.24 43.72 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' SER . 75.2 mmtt 57.7 77.51 0.28 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.029 0.443 . . . . 0.0 111.663 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 31' ' ' SER . 10.5 p -91.47 136.81 26.38 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.428 ' O ' HG22 ' A' ' 41' ' ' VAL . 19.5 Cg_endo -59.98 96.05 0.1 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.621 2.214 . . . . 0.0 111.307 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -66.16 -26.41 67.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.061 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 m -65.39 -33.54 76.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.0 109.646 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.529 ' O ' HG21 ' A' ' 43' ' ' THR . 22.2 t -77.53 -38.62 48.4 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.29 177.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 37' ' ' PRO . 83.9 t -61.6 -50.75 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.058 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 13.7 pt20 -62.1 -28.49 69.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.529 HG21 ' O ' ' A' ' 40' ' ' SER . 2.5 t -81.82 -34.24 30.33 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.137 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 pt -79.73 -30.48 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.403 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.654 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 29.4 m -67.28 -35.47 73.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.103 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 84.8 mtp180 -62.92 -38.82 92.5 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -68.4 -40.5 81.29 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.474 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -33.38 74.07 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.387 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 34.6 mmtp -59.65 -35.77 75.07 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.965 0.412 . . . . 0.0 110.293 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -74.05 -47.04 39.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.495 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -68.08 -25.28 65.26 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.473 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.42 -25.82 74.6 Favored Glycine 0 C--N 1.321 -0.28 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.783 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.7 m -90.29 -29.67 17.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.161 0.505 . . . . 0.0 110.434 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.0 p -112.9 30.98 6.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.72 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -71.88 160.27 32.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.902 0.382 . . . . 0.0 110.733 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -97.8 47.42 1.01 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.061 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 35.7 m80 . . . . . 0 C--O 1.238 0.48 0 CA-C-O 117.905 -1.045 . . . . 0.0 111.413 -178.517 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.56 0.219 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -127.1 26.96 6.0 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -177.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.2 mtp -73.45 113.13 10.2 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.84 55.56 28.4 Favored Glycine 0 CA--C 1.518 0.271 0 CA-C-N 115.553 -0.749 . . . . 0.0 114.005 177.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -74.75 -41.26 60.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.321 0.582 . . . . 0.0 109.568 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -170.56 -166.53 0.52 Allowed 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -72.89 100.68 2.98 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.263 0.554 . . . . 0.0 109.56 176.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -60.06 -67.85 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.025 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.416 ' HB ' ' CB ' ' A' ' 12' ' ' ASP . 4.9 mp -126.68 121.87 59.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.037 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m -61.21 -42.82 99.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.746 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -62.84 -40.54 97.76 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 110.385 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.416 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 18.8 t70 -63.03 -51.09 68.1 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.874 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.92 -44.02 94.54 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.522 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' O ' HG22 ' A' ' 18' ' ' VAL . 11.6 mmt85 -58.41 -48.73 79.73 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.616 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -70.55 -39.32 74.04 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.113 0.483 . . . . 0.0 110.538 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HA ' ' OD2' ' A' ' 19' ' ' ASP . 26.2 ttmt -62.46 -46.29 89.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.873 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.5 tp -61.26 -30.18 47.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.258 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 14' ' ' ARG . 95.0 t -70.51 -54.23 19.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.556 ' OD2' ' HA ' ' A' ' 16' ' ' LYS . 3.0 p30 -64.65 -32.06 73.56 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.58 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 84.5 mt -68.39 -18.78 64.53 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.978 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -76.39 -20.79 56.78 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.158 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -87.13 -27.65 22.96 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 m -66.1 -50.09 65.26 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.819 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.68 -77.27 0.93 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.223 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -60.28 -40.02 88.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.796 0.332 . . . . 0.0 111.706 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -64.86 -20.67 66.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.334 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 tp -67.08 -38.9 86.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 109.965 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.41 -29.63 67.92 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.36 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.13 59.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.8 pt -68.18 -26.51 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.387 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.58 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 67.6 m -67.74 -28.83 67.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.938 0.399 . . . . 0.0 110.658 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -89.48 -44.48 10.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -80.52 -44.38 19.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -93.97 -23.72 17.94 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.644 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 31' ' ' SER . 62.3 mttp 57.38 68.97 0.78 Allowed 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.252 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 m -79.0 130.39 70.05 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.865 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.428 ' O ' HG21 ' A' ' 41' ' ' VAL . 20.3 Cg_endo -63.63 122.16 10.16 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.473 2.115 . . . . 0.0 111.688 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -58.33 -33.64 69.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.702 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.1 m -59.32 -39.17 82.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.499 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.5 m -76.95 -33.29 57.69 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.424 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 45' ' ' VAL . 85.2 t -59.77 -47.29 91.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.311 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 53.5 mt-30 -62.08 -28.06 69.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.021 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 m -74.16 -46.27 43.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 pp -74.51 -27.0 20.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.448 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 27.2 m -67.2 -39.21 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.629 178.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 37.2 mmt180 -72.33 -30.82 65.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -65.0 -61.84 1.91 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.648 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.448 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 5.3 p90 -64.59 -31.07 72.13 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.479 -176.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -70.32 -50.75 36.0 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -71.37 -35.67 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.948 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -64.88 -36.32 83.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.44 -13.7 77.35 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.439 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.0 m -80.73 -38.0 29.53 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.018 0.437 . . . . 0.0 109.899 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.7 m -86.9 -52.33 5.53 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.03 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -99.96 146.07 27.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.581 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -83.13 101.48 11.21 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 59.4 t60 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.151 -179.17 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.919 0.39 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -91.58 157.74 16.82 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.042 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 ptm -115.41 141.08 48.53 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.141 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.98 -72.29 1.26 Allowed Glycine 0 N--CA 1.439 -1.133 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.224 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -143.89 109.98 5.37 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 m -153.36 110.41 3.45 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.78 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -121.93 -67.46 0.96 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.056 0.455 . . . . 0.0 110.32 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -171.0 -28.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.326 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 tt -60.77 88.66 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-O 121.783 0.801 . . . . 0.0 111.391 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m -102.73 23.58 11.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.363 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -56.03 -37.11 68.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.788 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.549 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 25.6 t70 -68.4 -45.3 73.05 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.204 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.68 -44.95 86.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.126 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.453 ' O ' HG22 ' A' ' 18' ' ' VAL . 45.1 ttp180 -63.4 -47.05 83.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.133 178.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 15' ' ' LYS . 34.7 ttpt -57.31 -44.78 84.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.443 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 33.3 mmtp -63.58 -54.45 35.75 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.572 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 tt -57.48 -40.83 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.66 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 14' ' ' ARG . 91.6 t -65.26 -45.98 92.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 120.971 0.415 . . . . 0.0 110.186 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.98 -40.37 97.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.896 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.436 HD22 ' O ' ' A' ' 16' ' ' LYS . 4.2 mm? -64.26 -38.27 90.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -63.36 -50.17 70.99 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.094 0.473 . . . . 0.0 110.125 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -69.66 -16.71 63.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.551 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.7 t -69.13 -43.83 73.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.32 -62.2 3.44 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.793 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 t -65.63 -25.31 67.31 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 122.388 0.275 . . . . 0.0 111.209 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -102.01 13.39 34.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.863 0.363 . . . . 0.0 111.562 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.24 -32.55 74.04 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 111.097 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.1 -31.4 66.6 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.862 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.14 -51.28 59.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.756 0.312 . . . . 0.0 111.333 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.79 -37.34 79.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 120.744 0.307 . . . . 0.0 111.406 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 t -72.02 -26.65 62.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -81.23 -40.68 23.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.324 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -88.84 -53.46 4.6 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.541 -0.463 . . . . 0.0 112.226 -178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.5 -34.96 53.97 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.897 -177.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 7.2 mtpm? 55.21 49.43 17.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.134 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.3 m -61.1 133.5 92.7 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.459 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.483 ' O ' HG21 ' A' ' 41' ' ' VAL . 51.8 Cg_exo -55.26 138.12 78.71 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.934 2.422 . . . . 0.0 112.146 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -58.02 -47.31 83.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.973 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.3 m -62.83 -32.23 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.999 0.428 . . . . 0.0 110.763 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -74.95 -30.95 61.36 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.743 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 37' ' ' PRO . 76.1 t -59.32 -53.7 44.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -60.72 -33.9 73.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.421 179.249 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.3 m -72.15 -43.1 65.15 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.336 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.445 ' O ' HD12 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -70.3 -40.96 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 116.811 -0.177 . . . . 0.0 110.794 -178.25 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.709 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 26.8 m -66.7 -30.39 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 121.079 0.466 . . . . 0.0 110.52 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -73.53 -38.53 65.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.239 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -59.15 -58.38 8.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.163 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.709 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 25.8 p90 -69.2 -28.09 66.07 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.551 -177.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -69.32 -51.49 36.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -61.92 -47.22 85.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.426 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -58.94 -53.89 53.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.493 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.57 -40.12 94.08 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.796 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.0 m -74.73 -25.4 59.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.893 0.347 . . . . 0.0 111.891 -176.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 m -87.72 -16.71 33.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.317 0.58 . . . . 0.0 110.474 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -89.68 103.8 16.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.029 0.442 . . . . 0.0 110.836 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -118.7 -57.29 2.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.408 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 43.3 m80 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.087 179.557 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.665 0 CA-C-O 120.53 0.205 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -84.08 2.22 40.34 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.4 mtm -75.67 -37.4 59.62 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.24 47.94 3.83 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.037 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt 65.14 111.88 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.825 0.85 . . . . 0.0 112.92 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.46 ' O ' ' HD2' ' A' ' 16' ' ' LYS . 5.0 p -77.64 98.64 5.5 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.852 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -168.8 -40.68 0.02 OUTLIER 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.752 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.92 -56.17 7.75 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.5 mm -73.48 120.07 21.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.177 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.0 m -54.07 -43.89 70.66 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -69.45 -37.72 77.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.659 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.453 ' OD2' ' HA ' ' A' ' 6' ' ' SER . 33.3 t70 -67.28 -39.35 86.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.573 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.2 tp -70.17 -34.46 73.03 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.887 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -64.08 -35.25 80.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -74.56 -34.34 62.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.269 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HD2' ' O ' ' A' ' 6' ' ' SER . 40.3 tttp -60.09 -50.64 72.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.317 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.8 tt -62.47 -27.07 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 120.963 0.411 . . . . 0.0 110.75 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -81.21 -39.61 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.244 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.43 -48.57 77.23 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.198 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.39 -18.72 65.24 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.584 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -41.51 71.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.763 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -77.45 -12.43 59.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.384 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.7 m -76.07 -29.19 57.89 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.199 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.33 -60.1 4.85 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.117 -0.563 . . . . 0.0 113.008 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 p -76.46 2.1 14.64 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -110.58 11.68 22.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.638 0.256 . . . . 0.0 111.282 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.36 -51.26 46.36 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.456 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.73 71.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.067 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.06 -63.09 1.19 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.632 0.253 . . . . 0.0 110.606 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.8 pt -62.16 -36.01 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.923 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.49 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 34.2 t -62.33 -42.96 99.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.558 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -92.1 -43.15 9.54 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.578 -0.449 . . . . 0.0 112.095 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -60.76 -56.43 21.34 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 111.166 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -77.95 -28.79 49.63 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 31' ' ' SER . 35.6 ttpt 57.21 34.02 24.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.013 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -72.27 130.68 85.87 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.258 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -50.51 130.26 29.07 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.712 2.275 . . . . 0.0 111.34 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -59.61 -23.37 62.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 m -69.67 -39.09 77.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.944 0.402 . . . . 0.0 109.956 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 t -70.82 -35.72 72.62 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 44' ' ' ILE . 62.5 t -67.58 -43.2 87.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.999 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -60.19 -42.47 95.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.78 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 12.7 t -70.96 -31.91 68.61 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.956 -177.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 41' ' ' VAL . 2.6 pp -79.54 -33.3 15.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.223 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.16 -30.41 27.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.434 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -61.77 -44.94 95.9 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.047 0.451 . . . . 0.0 109.869 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 43' ' ' THR . 95.1 mttt -65.42 -38.57 90.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.208 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -66.4 -44.16 83.77 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.835 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -61.54 -34.6 75.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.645 0.259 . . . . 0.0 110.72 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -65.37 -41.2 94.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -66.69 -30.03 70.18 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.457 ' HA2' ' H ' ' A' ' 57' ' ' HIS . . . -72.83 -9.36 75.09 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.709 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.2 m -96.17 -35.91 11.14 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 121.249 0.547 . . . . 0.0 109.69 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.6 p -84.36 -68.97 0.68 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.374 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -82.77 -30.38 28.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.565 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.454 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 27.1 t60 69.72 82.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.576 177.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.457 ' H ' ' HA2' ' A' ' 52' ' ' GLY . 76.1 t60 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.34 -0.838 . . . . 0.0 112.38 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 111.467 0.173 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p 57.08 175.14 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.023 0.929 . . . . 0.0 112.64 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.0 mtt -80.28 107.92 13.47 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.236 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.66 -44.74 88.95 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.53 -0.843 . . . . 0.0 111.251 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm 177.95 -55.95 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.674 0.39 . . . . 0.0 110.242 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 t 70.67 -72.77 0.11 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.739 0.649 . . . . 0.0 109.845 -177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -166.07 99.54 0.64 Allowed 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -78.59 -9.98 59.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.896 0.379 . . . . 0.0 111.417 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.3 mm -83.82 58.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.354 0.597 . . . . 0.0 110.056 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.7 p -101.25 -72.84 0.67 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.604 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -74.08 -17.93 60.89 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.329 0.585 . . . . 0.0 109.744 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 22.6 t70 -58.31 -33.98 70.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.144 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.75 -38.34 86.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.196 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -67.31 -44.73 78.48 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.388 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -73.19 -28.65 62.32 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.679 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 7.1 tptp -68.55 -48.38 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 -178.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 21' ' ' HIS . 10.0 tp -61.58 -29.92 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.8 t -80.93 -45.48 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.873 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.2 -55.59 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.806 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.92 -23.09 65.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.914 0.387 . . . . 0.0 111.244 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.569 ' HB2' ' O ' ' A' ' 17' ' ' ILE . 65.2 t60 -61.04 -41.25 96.23 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.422 0.629 . . . . 0.0 110.049 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HE3' ' OH ' ' A' ' 48' ' ' TYR . 4.7 mtpm? -90.11 -5.79 56.14 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.531 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -80.38 -19.74 45.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.181 0.515 . . . . 0.0 109.849 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.24 -73.08 2.7 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 113.304 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p -65.23 -21.71 66.78 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.936 0.398 . . . . 0.0 111.712 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -84.53 5.44 27.61 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.539 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -46.51 83.58 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.16 -17.1 71.67 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.127 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 33' ' ' ARG . . . -76.41 -53.47 8.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.669 0.271 . . . . 0.0 110.634 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.53 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 7.5 pt -61.68 -39.49 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.437 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.8 t -63.41 -30.95 72.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.204 0.526 . . . . 0.0 110.358 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -80.05 -60.5 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.894 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.2 ptm180 -76.86 -39.72 50.12 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.53 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 4.4 mm? -80.54 -36.33 33.24 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.882 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.3 tttp 59.21 46.21 13.25 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.525 0.678 . . . . 0.0 109.818 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 10.9 m -94.03 136.63 23.5 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.535 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 36' ' ' VAL . 29.7 Cg_exo -62.87 149.83 90.24 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.482 2.121 . . . . 0.0 111.281 177.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -61.09 -34.59 75.18 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.502 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -59.48 -38.5 81.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.666 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.5 m -68.0 -42.35 80.85 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 109.924 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.98 -48.34 88.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.406 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 17.1 mm-40 -60.75 -29.97 69.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.063 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.8 m -74.79 -43.02 56.96 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.426 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 pp -75.59 -30.52 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.512 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 30.3 m -68.92 -39.15 79.5 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.186 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 99.6 mtt180 -64.16 -38.07 89.74 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.585 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.01 -43.3 88.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.302 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.408 ' OH ' ' HE3' ' A' ' 22' ' ' LYS . 73.6 t80 -68.27 -43.36 77.96 Favored 'General case' 0 N--CA 1.422 -1.835 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.547 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 33.2 mmmt -59.77 -43.74 94.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.748 0.308 . . . . 0.0 110.717 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -71.27 -30.18 65.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.19 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -74.54 -29.52 61.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.24 -31.13 79.6 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.6 p -86.58 -39.92 15.69 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.749 0.309 . . . . 0.0 111.162 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.8 p -67.4 -40.56 85.62 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.028 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -82.93 100.61 10.51 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -138.6 119.83 14.67 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.768 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 . . . . . 0 C--N 1.316 -0.881 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.72 179.392 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.695 0 CA-C-O 120.74 0.305 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -114.46 -71.77 0.73 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.46 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.8 ttt -90.49 -22.38 21.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.789 0.328 . . . . 0.0 111.413 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.48 25.01 2.07 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.59 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -78.38 106.56 10.39 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m 64.41 70.22 0.5 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.545 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -111.98 92.31 3.98 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.608 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -80.46 111.55 16.97 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.643 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.3 pt -68.72 -21.0 25.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.8 m -66.48 -25.79 66.88 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.86 -48.9 70.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.477 ' OD2' ' HE2' ' A' ' 16' ' ' LYS . 27.5 t70 -67.34 -41.38 85.31 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.987 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.558 ' O ' HG12 ' A' ' 17' ' ' ILE . 59.6 tp -56.16 -52.19 65.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.162 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' O ' HG22 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -58.96 -40.26 84.2 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 178.584 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -60.17 -36.62 77.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.245 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HE2' ' OD2' ' A' ' 12' ' ' ASP . 67.3 mttm -77.64 -42.44 34.83 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.258 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.558 HG12 ' O ' ' A' ' 13' ' ' LEU . 33.3 mm -50.8 -50.6 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.431 HG23 ' CD2' ' A' ' 48' ' ' TYR . 52.8 t -61.34 -47.69 92.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.09 -47.25 87.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.235 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.86 -34.0 77.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.583 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -66.76 -35.56 80.38 Favored 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.603 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.76 -20.06 60.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.002 0.429 . . . . 0.0 110.179 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.0 m -79.08 -21.94 45.99 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.672 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.82 -89.16 1.06 Allowed Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.161 -0.542 . . . . 0.0 113.554 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.1 m -63.06 -42.66 99.74 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -59.8 -22.04 61.66 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.704 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.76 -35.66 81.32 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.366 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.8 -34.33 89.64 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.242 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -62.65 -50.67 70.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.462 0.172 . . . . 0.0 111.38 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.2 pt -69.25 -30.4 45.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.293 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 t -64.88 -37.62 88.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -73.79 -36.02 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.643 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 97.0 mtt180 -74.01 -49.96 21.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.006 -178.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.2 mt -82.58 -31.19 29.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.758 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 58.8 31.93 21.72 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.638 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -67.82 127.21 93.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -47.01 129.09 14.58 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.046 2.498 . . . . 0.0 112.313 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -56.68 -35.1 68.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.341 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -63.53 -37.46 87.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.964 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -73.49 -36.84 65.83 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.226 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.18 -39.32 84.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.132 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -58.68 -36.01 73.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.673 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.0 m -66.15 -43.39 87.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.433 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.7 mm -65.25 -50.38 73.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.252 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.713 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 34.3 m -60.73 -42.01 90.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.017 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -70.49 -31.07 68.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.766 0.317 . . . . 0.0 110.835 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.36 -39.83 77.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.231 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.713 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 2.2 p90 -75.97 -21.77 56.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.492 178.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 68.2 mttm -70.54 -37.19 74.04 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.56 -34.67 72.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 176.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 55' ' ' GLN . 55.0 t-80 -59.83 -40.75 89.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.7 -11.05 83.33 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.339 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.0 m -69.17 -72.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.4 m -137.78 -1.78 1.99 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 118.365 -1.334 . . . . 0.0 112.319 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.424 ' HB2' ' HA ' ' A' ' 51' ' ' HIS . 21.0 mp0 -84.83 80.83 9.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.875 0.369 . . . . 0.0 111.044 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 60.99 64.81 1.08 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.931 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 29.0 t60 . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.026 -179.34 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.637 0.256 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -82.07 -46.09 14.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.983 0.421 . . . . 0.0 110.968 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.9 mtp -95.96 2.85 53.76 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.209 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.53 160.51 30.03 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.291 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -84.55 98.98 10.44 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.008 0.433 . . . . 0.0 110.661 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -165.02 113.36 1.03 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.513 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -90.11 -26.97 19.94 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.343 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -150.98 117.86 5.85 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.3 tt -86.46 138.94 18.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 m -88.84 100.48 13.2 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -173.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -95.32 -65.17 0.99 Allowed 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 172.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.91 -46.12 89.31 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.194 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.3 -31.98 70.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -69.77 -31.66 69.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.147 0.498 . . . . 0.0 110.47 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -80.15 -32.69 38.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.039 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -64.8 -49.21 71.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.811 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.8 tp -58.69 -30.88 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.933 0.397 . . . . 0.0 110.616 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.84 -52.08 18.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.29 -37.36 86.95 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.553 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.9 mt -77.65 -13.33 59.93 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.362 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.53 -15.89 44.26 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.331 0.586 . . . . 0.0 109.592 175.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -75.31 -41.94 55.7 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.9 p -77.62 -42.35 35.26 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.845 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.59 -30.3 2.54 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.758 -0.655 . . . . 0.0 113.808 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 p -72.0 -11.94 61.0 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.474 ' O ' HG12 ' A' ' 30' ' ' ILE . 9.7 m -102.27 2.02 36.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.677 0.275 . . . . 0.0 111.221 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.45 -56.14 25.0 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.588 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.37 -24.85 71.0 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 121.224 -0.512 . . . . 0.0 113.128 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.14 -55.68 7.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.767 0.317 . . . . 0.0 111.25 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 26' ' ' SER . 21.5 pt -67.71 -38.45 80.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 p -65.17 -28.64 69.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.0 0.429 . . . . 0.0 110.672 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.552 ' HB2' ' HZ1' ' A' ' 32' ' ' LYS . 5.1 ttmp? -83.76 -48.75 9.77 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.736 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -62.17 -49.04 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -88.94 -7.82 55.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.339 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 56.43 61.3 2.74 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.224 0.535 . . . . 0.0 110.128 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -80.6 128.51 71.95 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.276 -178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.33 120.32 8.16 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.462 2.108 . . . . 0.0 111.504 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -55.21 -33.13 62.8 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.1 m -78.56 -40.48 34.69 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.069 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 m -71.09 -33.09 69.84 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.796 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.55 -28.19 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.183 0.516 . . . . 0.0 109.906 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.403 ' HA ' HG23 ' A' ' 45' ' ' VAL . 9.2 tt0 -76.44 -27.35 56.17 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.259 0.552 . . . . 0.0 109.582 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.5 m -67.42 -46.66 72.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.82 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.45 81.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.403 HG23 ' HA ' ' A' ' 42' ' ' GLN . 28.6 m -72.05 -24.65 22.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.538 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -69.97 -47.94 60.27 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.507 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.28 -29.55 67.46 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.927 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -62.88 -39.78 95.51 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.95 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -66.28 -45.25 81.09 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.222 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -64.11 -34.37 77.89 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.517 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -69.07 -24.02 64.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 110.168 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.67 -13.24 76.09 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.1 m -74.43 -60.49 2.25 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -140.84 -61.6 0.49 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 118.966 -1.094 . . . . 0.0 111.719 173.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 66.16 77.44 0.29 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.252 0.621 . . . . 0.0 111.819 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 52.62 74.02 0.31 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.815 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.976 177.356 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' HB1' ' HB2' ' A' ' 5' ' ' LYS . . . . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.552 0.215 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -91.93 -55.64 3.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.034 0.445 . . . . 0.0 111.074 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.34 -55.17 3.14 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.6 -177.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.18 67.67 1.77 Allowed Glycine 0 C--N 1.333 0.402 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.677 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 29.4 tptp -174.8 -33.0 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 m 73.39 155.34 0.16 Allowed 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.261 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -133.33 149.91 51.87 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -96.23 164.12 12.8 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.707 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 mm -87.61 136.46 23.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.444 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -85.03 143.56 28.82 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.474 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -69.52 -19.68 63.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.39 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -52.16 -43.2 63.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.555 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.86 -45.15 79.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.381 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.469 ' O ' HG21 ' A' ' 18' ' ' VAL . 58.9 ttp180 -64.08 -40.17 95.67 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.749 -178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -71.31 -36.66 71.7 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.648 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -60.95 -52.23 65.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.192 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tp -59.68 -39.71 80.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.893 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 14' ' ' ARG . 96.4 t -64.46 -50.3 76.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 120.674 0.273 . . . . 0.0 110.919 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 9.5 m-20 -61.58 -38.14 86.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.91 -28.14 64.3 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.514 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -68.33 -43.5 77.41 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.026 0.441 . . . . 0.0 109.963 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 19' ' ' ASP . 44.6 mtpt -59.3 -44.48 92.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.043 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.8 m -72.51 -39.97 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.335 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.98 63.04 4.05 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.999 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -145.33 -74.37 0.23 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.1 m -77.64 36.48 0.21 Allowed 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -174.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.52 -38.1 77.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.078 0.466 . . . . 0.0 110.062 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.17 -33.27 86.8 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.548 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.09 82.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.959 0.409 . . . . 0.0 110.104 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.4 mt -60.41 -33.58 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.416 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 42.9 m -59.84 -35.52 74.91 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.565 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -95.14 -34.68 12.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.496 -0.482 . . . . 0.0 112.181 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -80.04 -30.3 39.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -119.06 -2.64 10.74 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 31' ' ' SER . 25.5 pttm 43.51 36.18 1.12 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.452 0.701 . . . . 0.0 112.006 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -72.77 124.36 90.66 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.564 -177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -81.78 159.35 18.81 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 122.428 2.085 . . . . 0.0 111.383 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -59.63 -25.28 64.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.971 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -55.3 -42.25 73.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.113 0.482 . . . . 0.0 110.156 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 m -81.93 -28.93 32.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.968 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.3 t -70.84 -57.69 7.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -59.29 -34.02 71.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.7 p -74.82 -29.0 60.93 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.663 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -39.09 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.957 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.678 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 31.2 m -65.5 -35.85 76.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-O 120.771 0.32 . . . . 0.0 111.2 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -72.19 -29.89 64.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.669 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -69.63 -57.02 5.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.358 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.678 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 19.4 p90 -66.86 -34.15 77.18 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 19.4 ptpt -71.91 -31.85 66.8 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.528 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.458 ' O ' HG22 ' A' ' 54' ' ' THR . 10.4 t60 -74.48 -46.0 42.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.075 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -57.32 -50.43 72.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.477 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.26 -30.54 76.92 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.77 -0.728 . . . . 0.0 114.179 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 t -88.25 -21.3 24.56 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 50' ' ' HIS . 11.3 t -109.26 -28.35 9.05 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 119.393 -0.923 . . . . 0.0 113.079 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -72.56 -27.99 62.55 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.649 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -146.62 145.04 29.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.801 0.334 . . . . 0.0 110.96 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 . . . . . 0 C--N 1.318 -0.772 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.061 -179.001 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 120.729 0.299 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -95.23 -57.82 2.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.8 ttt -119.5 128.63 54.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.24 33.57 5.12 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -73.93 173.88 9.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -76.61 -44.05 35.95 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 tttm 67.97 -74.33 0.07 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.639 0.776 . . . . 0.0 111.497 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -127.51 -165.22 1.45 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.1 mt -82.59 96.44 3.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.3 p -64.04 167.09 6.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.433 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 22.1 mt-30 -66.31 -29.56 69.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 177.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -65.92 -43.74 87.22 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.775 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.6 tp -71.77 -33.27 68.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.369 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -60.42 -41.34 93.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 52.4 mtmt -67.54 -23.75 65.47 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' O ' HD22 ' A' ' 20' ' ' LEU . 1.2 tmtp? -65.84 -44.38 85.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.39 -47.35 92.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.223 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.21 -56.26 18.23 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.051 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.55 -42.88 95.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.491 HD13 ' CB ' ' A' ' 26' ' ' SER . 4.5 mm? -69.61 -21.65 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.6 -32.76 74.55 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 174.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -16.02 56.54 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.505 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -78.25 -41.18 34.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.649 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.4 -70.64 1.92 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.917 -0.659 . . . . 0.0 114.068 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.9 t -64.59 -24.43 67.59 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.491 ' CB ' HD13 ' A' ' 20' ' ' LEU . 20.2 m -82.03 4.26 23.57 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.96 -29.43 69.29 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.042 0.449 . . . . 0.0 110.74 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.49 -27.25 72.89 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.961 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.18 -40.77 67.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.001 0.429 . . . . 0.0 109.96 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.5 mt -64.66 -41.46 92.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.631 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.52 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 5.2 p -71.93 -32.23 67.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.032 -178.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 32' ' ' LYS . 1.4 tmtp? -79.84 -48.45 13.5 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -81.88 -49.34 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' C ' ' H ' ' A' ' 36' ' ' VAL . 42.0 tp -94.37 -8.8 37.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.639 0.257 . . . . 0.0 111.296 -176.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 31' ' ' SER . 73.2 mmtt 71.84 -5.75 1.62 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.417 0.687 . . . . 0.0 111.431 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' LEU . 11.9 p 42.4 96.38 0.04 OUTLIER Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.209 1.404 . . . . 0.0 114.014 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.83 92.8 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.499 2.132 . . . . 0.0 110.641 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -50.76 -52.16 43.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -173.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -63.92 -41.39 97.67 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.091 0.472 . . . . 0.0 111.657 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.43 ' O ' HG12 ' A' ' 44' ' ' ILE . 19.7 m -74.49 -40.75 61.64 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.524 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.52 -37.27 79.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.926 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -39.23 83.61 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 m -68.41 -31.4 70.71 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.459 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 40' ' ' SER . 46.1 mm -73.76 -49.19 36.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.625 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 30.2 m -61.1 -37.63 77.81 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.114 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -70.21 -19.65 63.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.195 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -89.33 -55.57 3.61 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.625 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 16.6 p90 -68.15 -26.13 65.61 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.08 -0.648 . . . . 0.0 111.96 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -76.8 -39.74 50.46 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.121 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -70.98 -39.54 72.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.562 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -77.51 -37.57 50.77 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.687 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.55 -16.13 75.69 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 113.69 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 p -93.45 3.07 56.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 117.187 0.493 . . . . 0.0 111.499 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.8 m -129.24 -37.73 1.64 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.29 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -124.93 -171.63 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.107 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -81.3 168.45 18.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.87 0.366 . . . . 0.0 110.789 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 . . . . . 0 C--N 1.316 -0.872 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.796 176.574 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 p 52.53 93.21 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.827 0.851 . . . . 0.0 112.432 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.3 ptp -69.47 -18.34 63.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.84 -130.31 22.41 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.038 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.8 tttt 179.91 -52.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -164.69 98.77 0.78 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.436 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' O ' HG13 ' A' ' 9' ' ' ILE . 55.9 pttt -136.97 138.9 41.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.771 0.319 . . . . 0.0 111.757 -176.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.408 ' HB3' ' H ' ' A' ' 9' ' ' ILE . 0.6 OUTLIER 65.69 -91.95 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.254 179.288 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 7' ' ' LYS . 9.4 mt 49.88 50.89 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 123.824 0.85 . . . . 0.0 112.981 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.4 m -100.17 125.8 46.35 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -55.94 -49.34 73.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.014 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -64.51 -39.88 94.6 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.181 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.78 -44.0 78.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.096 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -64.48 -40.96 96.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.368 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.78 -29.16 67.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.144 0.497 . . . . 0.0 110.107 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.615 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.6 tppt? -70.92 -56.14 6.89 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.744 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 tt -60.39 -39.49 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.2 m -65.43 -35.18 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 121.111 0.481 . . . . 0.0 110.84 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -74.42 -37.88 63.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.787 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 66.7 mt -68.13 -29.25 68.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.595 178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -60.71 -37.06 80.41 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.095 0.474 . . . . 0.0 110.071 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -77.23 -26.09 52.27 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.0 m -73.25 -51.09 18.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.91 -81.5 0.29 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.848 -0.692 . . . . 0.0 113.618 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.6 t -59.47 -32.55 70.35 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -176.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.1 p -63.38 -23.85 67.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.9 -40.95 87.85 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.92 -28.95 74.0 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.444 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.32 -52.02 45.48 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.532 0.206 . . . . 0.0 110.469 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.2 pt -69.07 -28.51 39.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.512 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -63.11 -44.4 95.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.08 0.467 . . . . 0.0 109.987 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -75.05 -32.19 61.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.426 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -77.43 -63.51 1.36 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.931 -176.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 pp -109.91 -3.5 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt 65.98 96.49 0.05 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.737 0.648 . . . . 0.0 111.279 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -71.35 112.99 15.73 Favored Pre-proline 0 C--N 1.313 -0.987 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -71.45 125.47 11.28 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.292 1.995 . . . . 0.0 111.267 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.408 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -58.35 -42.73 87.56 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.701 -178.32 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.4 t -62.63 -34.69 77.55 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 m -80.93 -45.33 16.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.727 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.408 HG11 ' HA ' ' A' ' 38' ' ' ARG . 7.8 p -64.79 -42.11 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.698 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -71.15 -26.36 62.96 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -177.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.2 p -79.29 -38.66 34.82 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.944 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 pp -74.31 -34.37 36.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.435 ' HA ' ' CD2' ' A' ' 48' ' ' TYR . 30.1 m -65.98 -34.12 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.853 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -80.03 -34.14 38.59 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.301 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -69.55 -47.59 63.19 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.542 -177.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 45' ' ' VAL . 2.8 p90 -67.57 -28.71 68.0 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.622 -179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -70.47 -41.26 72.99 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.942 0.401 . . . . 0.0 109.991 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -68.17 -27.99 66.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.951 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -81.73 -10.35 59.39 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.855 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.03 -31.3 61.43 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 116.415 -0.357 . . . . 0.0 112.621 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 t -68.87 -26.59 65.2 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 120.839 0.352 . . . . 0.0 111.288 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 p -116.77 13.0 15.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.327 0.584 . . . . 0.0 110.605 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -75.34 123.17 24.89 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.889 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -108.98 160.87 15.67 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.401 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 . . . . . 0 C--N 1.311 -1.069 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.51 178.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 120.681 0.277 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -93.18 129.67 39.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.578 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptm -74.4 -13.7 60.76 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.971 0.415 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.2 -162.28 17.12 Favored Glycine 0 N--CA 1.439 -1.141 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.367 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -125.67 163.86 21.88 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 116.796 0.298 . . . . 0.0 110.388 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -67.29 -41.22 85.77 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -126.52 140.53 52.38 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.01 178.28 7.09 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.425 0.631 . . . . 0.0 112.49 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.1 tt -145.41 77.04 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-O 122.049 0.928 . . . . 0.0 109.128 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.6 m -78.91 21.89 0.4 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.064 -177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -59.58 -47.19 86.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.861 0.362 . . . . 0.0 110.825 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.82 -39.6 92.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.604 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.57 -43.33 73.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.509 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -66.41 -38.14 86.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.705 0.288 . . . . 0.0 111.498 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -70.28 -26.83 63.98 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.89 177.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -76.43 -44.37 36.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.417 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.3 tp -60.25 -38.07 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.885 0.374 . . . . 0.0 110.714 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.6 -37.98 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.143 0.497 . . . . 0.0 109.793 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.13 -44.38 97.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.613 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.32 -25.51 65.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.177 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -70.63 -25.85 63.21 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.891 0.377 . . . . 0.0 110.286 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.66 -14.78 57.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.347 0.594 . . . . 0.0 109.518 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.1 t -83.68 -47.32 11.35 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . 82.4 -69.12 3.4 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.804 -0.635 . . . . 0.0 113.798 175.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 m -70.32 -14.83 62.75 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.6 t -98.59 9.15 43.89 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-O 121.033 0.444 . . . . 0.0 110.695 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -68.28 -38.5 81.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.527 -178.752 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.5 96.65 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.405 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.56 -55.86 24.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.75 0.31 . . . . 0.0 111.214 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 pt -68.93 -31.61 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.726 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.503 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 52.6 m -64.42 -38.59 91.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.756 0.312 . . . . 0.0 111.143 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.07 -42.59 17.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.731 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -63.86 -60.04 3.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.269 -177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.14 -11.25 55.54 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.856 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 31' ' ' SER . 85.4 tttt 57.77 76.33 0.33 Allowed 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.85 0.719 . . . . 0.0 110.39 -177.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.3 t -107.34 107.91 61.07 Favored Pre-proline 0 C--N 1.313 -0.99 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.187 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.4 140.22 93.3 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.67 2.246 . . . . 0.0 111.264 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -61.26 -27.06 68.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.61 -178.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -62.53 -37.81 87.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.197 0.523 . . . . 0.0 109.742 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.1 t -73.56 -37.45 65.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 45' ' ' VAL . 93.0 t -59.37 -48.65 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.171 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -55.88 -37.84 69.36 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.622 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.6 m -62.63 -44.29 96.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.442 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 pp -81.88 -37.15 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.718 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 31.4 m -65.76 -40.16 86.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.91 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 79.5 ttt180 -67.53 -36.75 81.6 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 110.58 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -67.7 -49.8 60.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.61 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.718 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 3.1 p90 -73.83 -31.96 63.47 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.066 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 46' ' ' ARG . 19.5 pttp -71.87 -24.78 61.73 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.995 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -75.03 -42.02 58.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.941 0.401 . . . . 0.0 110.744 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -81.21 -38.41 27.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.066 0.46 . . . . 0.0 110.336 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.31 21.32 7.28 Favored Glycine 0 N--CA 1.44 -1.059 0 CA-C-N 115.864 -0.607 . . . . 0.0 113.762 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.3 m -74.15 -62.71 1.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.73 13.86 4.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.306 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 75.25 -56.28 0.62 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.848 0.859 . . . . 0.0 109.978 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -110.55 79.93 1.26 Allowed 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 175.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.8 t60 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.454 -0.784 . . . . 0.0 111.113 -178.56 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 120.518 0.199 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -81.69 -34.92 30.38 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.802 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.4 mmt 69.95 -63.66 0.38 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.642 0.777 . . . . 0.0 111.993 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.89 168.86 28.44 Favored Glycine 0 N--CA 1.436 -1.358 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -113.88 116.88 30.0 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 120.549 0.214 . . . . 0.0 110.672 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t 67.38 13.15 9.26 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.347 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -96.23 -50.07 4.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.748 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -91.46 -65.39 1.01 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.814 0.34 . . . . 0.0 110.58 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.8 mt -104.8 92.38 2.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.037 0.446 . . . . 0.0 110.415 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 p -95.54 165.94 12.09 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.062 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -60.97 -40.38 93.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.28 -53.25 46.83 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.314 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.55 -46.35 84.01 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.193 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.456 ' O ' HG23 ' A' ' 18' ' ' VAL . 43.5 ttp180 -61.43 -37.74 84.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.239 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -72.35 -48.44 41.83 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.178 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.618 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.7 mmtp -66.29 -41.21 90.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.977 -177.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.17 -35.27 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 120.744 0.307 . . . . 0.0 110.87 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 14' ' ' ARG . 94.1 t -65.07 -49.42 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 120.857 0.36 . . . . 0.0 110.111 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.5 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 22.0 m-20 -66.2 -32.57 74.08 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.614 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 90.9 mt -67.62 -34.34 76.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.835 0.35 . . . . 0.0 110.327 177.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -73.56 -26.63 60.93 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.007 0.432 . . . . 0.0 110.42 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.5 ' HD3' ' HA ' ' A' ' 19' ' ' ASP . 45.6 mtpt -77.47 -5.61 50.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.022 177.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 m -106.89 -38.94 5.92 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.644 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.22 -62.51 4.62 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 116.057 -0.519 . . . . 0.0 113.349 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.1 p -69.6 -6.23 29.76 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -85.45 -8.85 58.16 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.816 0.341 . . . . 0.0 111.195 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.87 -37.15 81.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 32' ' ' LYS . . . -57.3 -45.23 93.0 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.87 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 33' ' ' ARG . . . -60.47 -57.15 13.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.689 0.28 . . . . 0.0 111.485 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.8 pt -63.8 -30.04 48.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -67.39 -40.07 85.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.776 0.322 . . . . 0.0 111.039 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' GLY . 14.2 ptmm? -84.22 -32.18 24.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.1 ptm180 -91.05 -49.67 6.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.447 -178.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.525 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 53.0 tp -96.41 -20.56 18.35 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -174.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.525 ' HD2' ' C ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 39.23 63.25 0.98 Allowed 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 121.819 0.818 . . . . 0.0 112.128 -177.138 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.8 p -71.27 133.6 85.36 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.84 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.7 125.76 20.14 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.88 2.387 . . . . 0.0 112.112 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 2.6 ptp180 -60.5 -28.55 68.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.635 -178.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 p -60.07 -35.76 75.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.027 0.442 . . . . 0.0 110.578 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.48 ' O ' HG12 ' A' ' 44' ' ' ILE . 32.1 t -80.95 -35.13 32.66 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.962 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.5 t -62.94 -52.67 56.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.261 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 38' ' ' ARG . 12.9 mm100 -66.06 -30.93 71.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.395 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.0 t -76.31 -26.27 55.67 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.95 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 40' ' ' SER . 38.1 mm -79.06 -40.55 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.954 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.609 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 35.1 m -60.27 -40.54 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -77.24 -21.68 53.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.149 0.5 . . . . 0.0 110.612 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -82.65 -47.48 12.0 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.594 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.609 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 2.9 p90 -64.92 -32.03 73.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.295 -177.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' HG21 ' A' ' 53' ' ' THR . 19.2 ptpt -67.11 -39.08 86.61 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.439 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -68.56 -35.85 77.97 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.229 0.538 . . . . 0.0 110.09 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -73.12 -19.62 61.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.295 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.462 ' HA2' ' CE1' ' A' ' 57' ' ' HIS . . . -94.45 -37.94 5.18 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.412 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.437 HG21 ' O ' ' A' ' 49' ' ' LYS . 11.7 t -92.17 -28.8 16.84 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -176.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 m -106.9 -55.45 2.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.923 0.392 . . . . 0.0 111.908 -177.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -75.73 122.8 24.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.508 -176.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -74.61 114.04 12.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CE1' ' HA2' ' A' ' 52' ' ' GLY . 27.1 p-80 . . . . . 0 C--N 1.308 -1.202 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.036 -176.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 120.345 0.117 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p 53.29 -90.2 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.747 1.219 . . . . 0.0 113.168 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.9 mtp -92.54 -24.68 18.67 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.22 97.98 1.11 Allowed Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.472 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.55 140.17 47.02 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 p -127.1 23.29 6.53 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.308 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 64.46 18.32 11.29 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.934 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 70.89 -52.33 0.68 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.596 0.759 . . . . 0.0 111.653 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 pt -76.24 79.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.618 0.723 . . . . 0.0 110.982 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -92.92 41.09 1.07 Allowed 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.277 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -52.65 -54.9 27.01 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.533 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.593 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 24.4 t70 -64.03 -47.59 79.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.773 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -55.85 -47.83 76.59 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.358 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -59.55 -48.76 80.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.945 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -60.38 -32.85 71.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.572 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 33.0 mmtp -74.07 -55.72 5.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.221 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 tp -60.99 -42.09 91.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.91 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.49 -43.53 90.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.824 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.11 -48.28 82.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.4 -25.02 66.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.048 -0.523 . . . . 0.0 112.26 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -67.73 -27.97 67.24 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.49 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -11.86 43.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.972 0.415 . . . . 0.0 110.521 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 m -82.75 -49.44 9.74 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.95 -51.33 4.31 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 114.726 0.65 . . . . 0.0 114.726 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.1 t -56.58 -42.94 79.51 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.1 m -96.17 21.37 8.98 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.16 -46.52 70.53 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.19 -35.59 92.29 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.68 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.17 64.44 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.617 0.246 . . . . 0.0 111.299 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.8 pt -70.53 -34.57 57.99 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 p -65.15 -32.71 74.54 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.031 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -83.48 -39.53 20.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.459 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -63.54 -43.92 95.73 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.322 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.2 tp -82.77 -25.05 33.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.124 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt 57.65 65.38 1.34 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.678 0.752 . . . . 0.0 109.968 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 p -114.62 122.95 33.0 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.788 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -58.6 145.72 94.11 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.633 2.222 . . . . 0.0 112.141 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -53.94 -41.61 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.359 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -62.02 -30.19 70.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.469 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.417 ' O ' HG12 ' A' ' 44' ' ' ILE . 36.2 t -81.09 -28.27 35.31 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.907 0.384 . . . . 0.0 110.307 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.54 -43.08 83.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.427 ' HA ' HG23 ' A' ' 45' ' ' VAL . 55.1 tp60 -59.57 -40.29 86.86 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.431 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 p -67.75 -24.72 65.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.783 0.325 . . . . 0.0 111.719 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 40' ' ' SER . 48.1 mm -85.58 -45.48 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.81 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.658 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 29.1 m -64.55 -39.14 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.558 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -71.77 -26.44 62.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.152 0.501 . . . . 0.0 110.241 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -67.91 -46.16 72.38 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.334 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.658 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 8.6 p90 -76.24 -11.97 60.01 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.722 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 72.7 mmtt -66.85 -48.33 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.195 0.521 . . . . 0.0 109.754 175.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -77.04 -47.47 20.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.313 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -65.19 -37.34 87.02 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.877 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.19 -9.11 63.22 Favored Glycine 0 C--N 1.313 -0.723 0 C-N-CA 120.396 -0.907 . . . . 0.0 112.728 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 m -116.18 -39.84 3.36 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 m -101.8 -20.12 15.05 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -174.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -61.9 -50.42 72.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.203 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -87.22 -37.85 16.88 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 . . . . . 0 C--O 1.247 0.946 0 O-C-N 123.857 0.723 . . . . 0.0 110.861 179.086 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 49.6 tt0 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.19 -51.58 68.39 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.36 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.76 -41.85 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.077 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -63.02 -44.25 96.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.566 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 31.9 mmmt -72.83 -41.43 64.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.174 0.511 . . . . 0.0 110.296 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' O ' HD23 ' A' ' 20' ' ' LEU . 30.2 ttpt -62.49 -50.03 73.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.969 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.0 tp -59.36 -39.15 78.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 120.795 0.331 . . . . 0.0 110.939 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.3 t -69.29 -48.92 65.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.43 -39.8 92.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.457 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 16' ' ' LYS . 4.5 mm? -70.18 -24.8 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.666 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -67.89 -28.08 67.21 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.067 0.461 . . . . 0.0 110.265 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -79.32 -20.78 47.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.828 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.6 m -81.84 -46.35 14.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.732 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.42 -63.58 4.32 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.918 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m -73.96 -4.04 32.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -115.1 8.9 15.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.253 0.549 . . . . 0.0 110.671 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.09 -40.44 74.96 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.019 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.08 -23.56 69.72 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.477 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.78 -54.88 15.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.731 0.3 . . . . 0.0 111.132 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 pt -68.76 -31.16 49.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.49 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 17.9 m -75.43 -11.52 60.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -85.73 -44.58 12.41 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.847 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -75.93 -55.28 5.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.796 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 73.4 mt -94.51 -12.18 28.16 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -174.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER 35.98 68.25 0.25 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.637 0.775 . . . . 0.0 112.736 -177.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.24 124.91 87.04 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.663 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HG2' ' OG ' ' A' ' 40' ' ' SER . 27.9 Cg_endo -64.85 155.31 68.32 Favored 'Trans proline' 0 C--O 1.241 0.641 0 C-N-CA 122.643 2.229 . . . . 0.0 112.277 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HA ' HG12 ' A' ' 41' ' ' VAL . 32.7 ttm180 -56.84 -43.2 80.88 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.594 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -59.76 -37.67 79.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.198 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.407 ' OG ' ' HG2' ' A' ' 37' ' ' PRO . 64.8 m -72.54 -41.38 65.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 38' ' ' ARG . 14.1 p -73.35 -34.56 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.249 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.9 OUTLIER -70.89 -30.86 67.34 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.982 0.42 . . . . 0.0 110.793 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 p -78.06 -37.39 46.83 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.665 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.05 -30.73 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.7 m -67.08 -30.98 51.29 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.488 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -64.02 -46.83 82.71 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.21 -41.79 94.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.629 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -63.22 -47.84 80.82 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 120.61 0.243 . . . . 0.0 110.718 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.71 -31.91 73.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.104 0.478 . . . . 0.0 110.46 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -71.7 -46.41 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.513 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -75.46 -14.95 60.46 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.734 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.611 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 175.73 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 C--O 1.235 0.33 0 CA-C-O 120.682 0.277 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.418 ' HA ' ' HE2' ' A' ' 15' ' ' LYS . 14.6 m-20 -63.41 -45.31 91.57 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.63 -40.85 97.91 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.973 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' ' 18' ' ' VAL . 35.0 ttt180 -64.82 -53.17 51.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.764 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 12' ' ' ASP . 65.3 pttt -62.13 -31.62 72.11 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.916 -178.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' HD13 ' A' ' 20' ' ' LEU . 83.9 tttt -73.42 -47.6 40.44 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.674 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 14' ' ' ARG . 12.6 tt -61.86 -26.65 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.625 0.25 . . . . 0.0 110.991 -178.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 14' ' ' ARG . 77.6 t -62.79 -47.09 94.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.37 -40.25 95.48 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.18 0.514 . . . . 0.0 110.165 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 16' ' ' LYS . 8.3 mp -60.95 -33.52 73.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.081 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.4 ' NE2' HG11 ' A' ' 45' ' ' VAL . 14.2 m80 -66.23 -41.02 90.61 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.136 0.493 . . . . 0.0 110.487 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -72.84 -17.23 61.57 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.887 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -90.0 -29.96 18.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.582 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.97 -70.99 2.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.249 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.9 t -61.83 -37.36 84.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.87 0.367 . . . . 0.0 111.37 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.491 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . 3.8 m -67.16 -18.47 65.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.498 -178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.95 -49.35 58.75 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.1 -31.15 76.93 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.445 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.71 -55.42 32.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 111.359 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.0 pt -71.48 -32.79 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.453 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.478 ' HA ' HG12 ' A' ' 36' ' ' VAL . 49.2 m -61.82 -35.14 77.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.996 0.427 . . . . 0.0 110.819 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.506 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 10.9 tmtt? -80.6 -39.88 26.73 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.669 178.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -69.16 -63.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 pp -95.95 -4.24 43.72 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' SER . 75.2 mmtt 57.7 77.51 0.28 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.029 0.443 . . . . 0.0 111.663 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 31' ' ' SER . 10.5 p -91.47 136.81 26.38 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.436 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.5 Cg_endo -59.98 96.05 0.1 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.621 2.214 . . . . 0.0 111.307 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -66.16 -26.41 67.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.061 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 m -65.39 -33.54 76.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.0 109.646 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.531 ' O ' HG22 ' A' ' 43' ' ' THR . 22.2 t -77.53 -38.62 48.4 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.29 177.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 37' ' ' PRO . 83.9 t -61.6 -50.75 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.058 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 13.7 pt20 -62.1 -28.49 69.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 40' ' ' SER . 2.5 t -81.82 -34.24 30.33 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.137 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 pt -79.73 -30.48 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.403 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.661 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 29.4 m -67.28 -35.47 73.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.103 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 84.8 mtp180 -62.92 -38.82 92.5 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -68.4 -40.5 81.29 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.474 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -33.38 74.07 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.387 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 34.6 mmtp -59.65 -35.77 75.07 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.965 0.412 . . . . 0.0 110.293 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -74.05 -47.04 39.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.495 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -68.08 -25.28 65.26 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.473 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.28 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.783 178.133 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.03 -51.09 68.1 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.874 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.92 -44.02 94.54 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.522 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.6 mmt85 -58.41 -48.73 79.73 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.616 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -70.55 -39.32 74.04 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.113 0.483 . . . . 0.0 110.538 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HA ' ' OD2' ' A' ' 19' ' ' ASP . 26.2 ttmt -62.46 -46.29 89.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.873 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.5 tp -61.26 -30.18 47.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.258 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.0 t -70.51 -54.23 19.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.575 ' OD2' ' HA ' ' A' ' 16' ' ' LYS . 3.0 p30 -64.65 -32.06 73.56 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.58 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 84.5 mt -68.39 -18.78 64.53 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.978 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -76.39 -20.79 56.78 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.158 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -87.13 -27.65 22.96 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 m -66.1 -50.09 65.26 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.819 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.68 -77.27 0.93 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.223 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -60.28 -40.02 88.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.796 0.332 . . . . 0.0 111.706 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -64.86 -20.67 66.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.334 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 tp -67.08 -38.9 86.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 109.965 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.41 -29.63 67.92 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.36 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.13 59.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.8 pt -68.18 -26.51 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.387 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.582 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 67.6 m -67.74 -28.83 67.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.938 0.399 . . . . 0.0 110.658 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -89.48 -44.48 10.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -80.52 -44.38 19.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -93.97 -23.72 17.94 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.644 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 31' ' ' SER . 62.3 mttp 57.38 68.97 0.78 Allowed 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.252 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 m -79.0 130.39 70.05 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.865 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.438 ' O ' HG23 ' A' ' 41' ' ' VAL . 20.3 Cg_endo -63.63 122.16 10.16 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.473 2.115 . . . . 0.0 111.688 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -58.33 -33.64 69.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.702 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.1 m -59.32 -39.17 82.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.499 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.5 m -76.95 -33.29 57.69 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.424 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 45' ' ' VAL . 85.2 t -59.77 -47.29 91.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.311 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 53.5 mt-30 -62.08 -28.06 69.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.021 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 m -74.16 -46.27 43.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 pp -74.51 -27.0 20.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.453 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 27.2 m -67.2 -39.21 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.629 178.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 37.2 mmt180 -72.33 -30.82 65.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -65.0 -61.84 1.91 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.648 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 5.3 p90 -64.59 -31.07 72.13 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.479 -176.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -70.32 -50.75 36.0 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -71.37 -35.67 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.948 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -64.88 -36.32 83.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.439 178.651 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 25.6 t70 -68.4 -45.3 73.05 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.204 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.68 -44.95 86.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.126 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 18' ' ' VAL . 45.1 ttp180 -63.4 -47.05 83.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.133 178.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' A' ' 15' ' ' LYS . 34.7 ttpt -57.31 -44.78 84.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.443 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 33.3 mmtp -63.58 -54.45 35.75 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.572 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 tt -57.48 -40.83 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.66 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 14' ' ' ARG . 91.6 t -65.26 -45.98 92.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 120.971 0.415 . . . . 0.0 110.186 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.98 -40.37 97.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.896 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 16' ' ' LYS . 4.2 mm? -64.26 -38.27 90.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -63.36 -50.17 70.99 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.094 0.473 . . . . 0.0 110.125 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -69.66 -16.71 63.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.551 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.7 t -69.13 -43.83 73.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.32 -62.2 3.44 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.793 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 t -65.63 -25.31 67.31 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 122.388 0.275 . . . . 0.0 111.209 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -102.01 13.39 34.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.863 0.363 . . . . 0.0 111.562 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.24 -32.55 74.04 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 111.097 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.1 -31.4 66.6 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.862 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.14 -51.28 59.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.756 0.312 . . . . 0.0 111.333 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.79 -37.34 79.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 120.744 0.307 . . . . 0.0 111.406 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 t -72.02 -26.65 62.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -81.23 -40.68 23.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.324 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -88.84 -53.46 4.6 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.541 -0.463 . . . . 0.0 112.226 -178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.5 -34.96 53.97 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.897 -177.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 7.2 mtpm? 55.21 49.43 17.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.134 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 15.3 m -61.1 133.5 92.7 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.459 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 41' ' ' VAL . 51.8 Cg_exo -55.26 138.12 78.71 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.934 2.422 . . . . 0.0 112.146 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -58.02 -47.31 83.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.973 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.3 m -62.83 -32.23 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.999 0.428 . . . . 0.0 110.763 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -74.95 -30.95 61.36 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.743 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 37' ' ' PRO . 76.1 t -59.32 -53.7 44.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -60.72 -33.9 73.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.421 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.3 m -72.15 -43.1 65.15 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.336 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -70.3 -40.96 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 116.811 -0.177 . . . . 0.0 110.794 -178.25 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.716 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 26.8 m -66.7 -30.39 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 121.079 0.466 . . . . 0.0 110.52 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -73.53 -38.53 65.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.239 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -59.15 -58.38 8.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.163 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.716 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 25.8 p90 -69.2 -28.09 66.07 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.551 -177.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -69.32 -51.49 36.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -61.92 -47.22 85.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.426 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -58.94 -53.89 53.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.493 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.796 -177.015 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.862 0.363 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.28 -39.35 86.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.573 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.2 tp -70.17 -34.46 73.03 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.887 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -64.08 -35.25 80.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -74.56 -34.34 62.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.269 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -60.09 -50.64 72.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.317 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.8 tt -62.47 -27.07 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 120.963 0.411 . . . . 0.0 110.75 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -81.21 -39.61 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.244 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.43 -48.57 77.23 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.198 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.39 -18.72 65.24 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.584 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -41.51 71.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.763 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -77.45 -12.43 59.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.384 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.7 m -76.07 -29.19 57.89 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.199 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.33 -60.1 4.85 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.117 -0.563 . . . . 0.0 113.008 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 p -76.46 2.1 14.64 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.404 ' O ' HG12 ' A' ' 30' ' ' ILE . 15.9 m -110.58 11.68 22.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.638 0.256 . . . . 0.0 111.282 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.36 -51.26 46.36 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.456 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.73 71.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.067 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.06 -63.09 1.19 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.632 0.253 . . . . 0.0 110.606 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 26' ' ' SER . 11.8 pt -62.16 -36.01 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.923 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 34.2 t -62.33 -42.96 99.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.558 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -92.1 -43.15 9.54 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.578 -0.449 . . . . 0.0 112.095 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -60.76 -56.43 21.34 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 111.166 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -77.95 -28.79 49.63 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 31' ' ' SER . 35.6 ttpt 57.21 34.02 24.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.013 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -72.27 130.68 85.87 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.258 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -50.51 130.26 29.07 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.712 2.275 . . . . 0.0 111.34 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -59.61 -23.37 62.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 m -69.67 -39.09 77.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.944 0.402 . . . . 0.0 109.956 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 t -70.82 -35.72 72.62 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 44' ' ' ILE . 62.5 t -67.58 -43.2 87.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.999 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -60.19 -42.47 95.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.78 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.403 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 12.7 t -70.96 -31.91 68.61 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.956 -177.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 41' ' ' VAL . 2.6 pp -79.54 -33.3 15.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.223 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.16 -30.41 27.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.434 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -61.77 -44.94 95.9 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.047 0.451 . . . . 0.0 109.869 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 43' ' ' THR . 95.1 mttt -65.42 -38.57 90.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.208 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -66.4 -44.16 83.77 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.835 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -61.54 -34.6 75.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.645 0.259 . . . . 0.0 110.72 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -65.37 -41.2 94.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -66.69 -30.03 70.18 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.703 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.709 177.229 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.235 0.341 0 CA-C-O 121.329 0.585 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 22.6 t70 -58.31 -33.98 70.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.144 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.75 -38.34 86.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.196 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -67.31 -44.73 78.48 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.388 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -73.19 -28.65 62.32 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.679 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 7.1 tptp -68.55 -48.38 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 -178.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.576 ' O ' ' HB2' ' A' ' 21' ' ' HIS . 10.0 tp -61.58 -29.92 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.8 t -80.93 -45.48 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.873 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.2 -55.59 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.806 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.92 -23.09 65.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.914 0.387 . . . . 0.0 111.244 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.576 ' HB2' ' O ' ' A' ' 17' ' ' ILE . 65.2 t60 -61.04 -41.25 96.23 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.422 0.629 . . . . 0.0 110.049 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HE3' ' OH ' ' A' ' 48' ' ' TYR . 4.7 mtpm? -90.11 -5.79 56.14 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.531 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -80.38 -19.74 45.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.181 0.515 . . . . 0.0 109.849 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.24 -73.08 2.7 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 113.304 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p -65.23 -21.71 66.78 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.936 0.398 . . . . 0.0 111.712 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -84.53 5.44 27.61 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.539 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -46.51 83.58 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.16 -17.1 71.67 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.127 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.6 ' O ' ' HG2' ' A' ' 33' ' ' ARG . . . -76.41 -53.47 8.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.669 0.271 . . . . 0.0 110.634 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 7.5 pt -61.68 -39.49 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.437 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.8 t -63.41 -30.95 72.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.204 0.526 . . . . 0.0 110.358 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -80.05 -60.5 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.894 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.2 ptm180 -76.86 -39.72 50.12 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 4.4 mm? -80.54 -36.33 33.24 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.882 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.3 tttp 59.21 46.21 13.25 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.525 0.678 . . . . 0.0 109.818 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 34' ' ' LEU . 10.9 m -94.03 136.63 23.5 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.535 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 36' ' ' VAL . 29.7 Cg_exo -62.87 149.83 90.24 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.482 2.121 . . . . 0.0 111.281 177.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -61.09 -34.59 75.18 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.502 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -59.48 -38.5 81.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.666 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.5 m -68.0 -42.35 80.85 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 109.924 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.98 -48.34 88.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.406 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.47 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 17.1 mm-40 -60.75 -29.97 69.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.063 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.8 m -74.79 -43.02 56.96 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.426 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 pp -75.59 -30.52 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 30.3 m -68.92 -39.15 79.5 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.186 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 99.6 mtt180 -64.16 -38.07 89.74 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.585 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.01 -43.3 88.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.302 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.422 ' OH ' ' HE3' ' A' ' 22' ' ' LYS . 73.6 t80 -68.27 -43.36 77.96 Favored 'General case' 0 N--CA 1.422 -1.835 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.547 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 33.2 mmmt -59.77 -43.74 94.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.748 0.308 . . . . 0.0 110.717 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -71.27 -30.18 65.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.19 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -74.54 -29.52 61.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.519 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.502 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.494 ' OD2' ' HE2' ' A' ' 16' ' ' LYS . 27.5 t70 -67.34 -41.38 85.31 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.987 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.578 ' O ' HG12 ' A' ' 17' ' ' ILE . 59.6 tp -56.16 -52.19 65.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.162 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -58.96 -40.26 84.2 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 178.584 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -60.17 -36.62 77.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.245 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HE2' ' OD2' ' A' ' 12' ' ' ASP . 67.3 mttm -77.64 -42.44 34.83 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.258 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 13' ' ' LEU . 33.3 mm -50.8 -50.6 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 48' ' ' TYR . 52.8 t -61.34 -47.69 92.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.09 -47.25 87.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.235 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.86 -34.0 77.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.583 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -66.76 -35.56 80.38 Favored 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.603 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.76 -20.06 60.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.002 0.429 . . . . 0.0 110.179 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.0 m -79.08 -21.94 45.99 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.672 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.82 -89.16 1.06 Allowed Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.161 -0.542 . . . . 0.0 113.554 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.1 m -63.06 -42.66 99.74 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -59.8 -22.04 61.66 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.704 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.76 -35.66 81.32 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.366 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.8 -34.33 89.64 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.242 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -62.65 -50.67 70.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.462 0.172 . . . . 0.0 111.38 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.2 pt -69.25 -30.4 45.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.293 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 t -64.88 -37.62 88.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -73.79 -36.02 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.643 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 97.0 mtt180 -74.01 -49.96 21.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.006 -178.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.2 mt -82.58 -31.19 29.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.758 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 58.8 31.93 21.72 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.638 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -67.82 127.21 93.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -47.01 129.09 14.58 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.046 2.498 . . . . 0.0 112.313 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -56.68 -35.1 68.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.341 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -63.53 -37.46 87.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.964 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -73.49 -36.84 65.83 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.226 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.18 -39.32 84.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.132 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.454 ' HA ' HG22 ' A' ' 45' ' ' VAL . 29.8 tt0 -58.68 -36.01 73.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.673 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.0 m -66.15 -43.39 87.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.433 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.7 mm -65.25 -50.38 73.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.252 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.719 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 34.3 m -60.73 -42.01 90.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.017 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -70.49 -31.07 68.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.766 0.317 . . . . 0.0 110.835 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.36 -39.83 77.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.231 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.719 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 2.2 p90 -75.97 -21.77 56.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.492 178.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 68.2 mttm -70.54 -37.19 74.04 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.56 -34.67 72.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 176.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -59.83 -40.75 89.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.739 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.339 179.237 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 . . . . . 0 C--O 1.234 0.255 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.91 -46.12 89.31 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.194 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.3 -31.98 70.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -69.77 -31.66 69.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.147 0.498 . . . . 0.0 110.47 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -80.15 -32.69 38.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.039 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -64.8 -49.21 71.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.811 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.8 tp -58.69 -30.88 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.933 0.397 . . . . 0.0 110.616 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.84 -52.08 18.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.29 -37.36 86.95 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.553 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.9 mt -77.65 -13.33 59.93 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.362 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.53 -15.89 44.26 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.331 0.586 . . . . 0.0 109.592 175.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -75.31 -41.94 55.7 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.9 p -77.62 -42.35 35.26 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.845 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.59 -30.3 2.54 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.758 -0.655 . . . . 0.0 113.808 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 p -72.0 -11.94 61.0 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.477 ' O ' HG12 ' A' ' 30' ' ' ILE . 9.7 m -102.27 2.02 36.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.677 0.275 . . . . 0.0 111.221 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.45 -56.14 25.0 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.588 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.37 -24.85 71.0 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 121.224 -0.512 . . . . 0.0 113.128 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.14 -55.68 7.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.767 0.317 . . . . 0.0 111.25 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 26' ' ' SER . 21.5 pt -67.71 -38.45 80.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 p -65.17 -28.64 69.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.0 0.429 . . . . 0.0 110.672 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 5.1 ttmp? -83.76 -48.75 9.77 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.736 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -62.17 -49.04 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -88.94 -7.82 55.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.339 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 56.43 61.3 2.74 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.224 0.535 . . . . 0.0 110.128 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -80.6 128.51 71.95 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.276 -178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.33 120.32 8.16 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.462 2.108 . . . . 0.0 111.504 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -55.21 -33.13 62.8 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.1 m -78.56 -40.48 34.69 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.069 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 m -71.09 -33.09 69.84 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.796 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.55 -28.19 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.183 0.516 . . . . 0.0 109.906 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.462 ' HA ' HG22 ' A' ' 45' ' ' VAL . 56.9 tt0 -76.44 -27.35 56.17 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.259 0.552 . . . . 0.0 109.582 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.5 m -67.42 -46.66 72.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.82 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.45 81.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 42' ' ' GLN . 28.6 m -72.05 -24.65 22.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.538 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -69.97 -47.94 60.27 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.507 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.28 -29.55 67.46 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.927 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -62.88 -39.78 95.51 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.95 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -66.28 -45.25 81.09 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.222 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -64.11 -34.37 77.89 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.517 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -69.07 -24.02 64.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 110.168 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.85 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.115 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 120.675 0.274 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -52.16 -43.2 63.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.555 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.86 -45.15 79.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.381 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 18' ' ' VAL . 58.9 ttp180 -64.08 -40.17 95.67 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.749 -178.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -71.31 -36.66 71.7 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.648 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -60.95 -52.23 65.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.192 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tp -59.68 -39.71 80.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.893 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 14' ' ' ARG . 96.4 t -64.46 -50.3 76.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 120.674 0.273 . . . . 0.0 110.919 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.496 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 9.5 m-20 -61.58 -38.14 86.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HG ' HD11 ' A' ' 30' ' ' ILE . 4.1 mm? -70.91 -28.14 64.3 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.514 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -68.33 -43.5 77.41 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.026 0.441 . . . . 0.0 109.963 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' A' ' 19' ' ' ASP . 44.6 mtpt -59.3 -44.48 92.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.043 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.8 m -72.51 -39.97 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.335 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.98 63.04 4.05 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.999 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -145.33 -74.37 0.23 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.1 m -77.64 36.48 0.21 Allowed 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -174.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.52 -38.1 77.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.078 0.466 . . . . 0.0 110.062 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.17 -33.27 86.8 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.548 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.09 82.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.959 0.409 . . . . 0.0 110.104 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.414 HD11 ' HG ' ' A' ' 20' ' ' LEU . 57.4 mt -60.41 -33.58 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.416 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 42.9 m -59.84 -35.52 74.91 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.565 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -95.14 -34.68 12.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.496 -0.482 . . . . 0.0 112.181 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -80.04 -30.3 39.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -119.06 -2.64 10.74 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 31' ' ' SER . 25.5 pttm 43.51 36.18 1.12 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.452 0.701 . . . . 0.0 112.006 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -72.77 124.36 90.66 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.564 -177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -81.78 159.35 18.81 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 122.428 2.085 . . . . 0.0 111.383 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -59.63 -25.28 64.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.971 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -55.3 -42.25 73.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.113 0.482 . . . . 0.0 110.156 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 m -81.93 -28.93 32.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.968 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.3 t -70.84 -57.69 7.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HA ' HG22 ' A' ' 45' ' ' VAL . 6.4 mp0 -59.29 -34.02 71.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.7 p -74.82 -29.0 60.93 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.663 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -39.09 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.957 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.685 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 31.2 m -65.5 -35.85 76.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-O 120.771 0.32 . . . . 0.0 111.2 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -72.19 -29.89 64.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.669 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -69.63 -57.02 5.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.358 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.685 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 19.4 p90 -66.86 -34.15 77.18 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -71.91 -31.85 66.8 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.528 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -74.48 -46.0 42.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.075 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -57.32 -50.43 72.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.477 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 C-N-CA 120.77 -0.728 . . . . 0.0 114.179 -176.583 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 89.6 mt-30 . . . . . 0 N--CA 1.449 -0.515 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -65.92 -43.74 87.22 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.775 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.6 tp -71.77 -33.27 68.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.369 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -60.42 -41.34 93.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 52.4 mtmt -67.54 -23.75 65.47 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' O ' HD23 ' A' ' 20' ' ' LEU . 1.2 tmtp? -65.84 -44.38 85.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.39 -47.35 92.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.223 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.21 -56.26 18.23 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.051 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.55 -42.88 95.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.5 HD12 ' CB ' ' A' ' 26' ' ' SER . 4.5 mm? -69.61 -21.65 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.6 -32.76 74.55 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 174.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -16.02 56.54 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.505 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -78.25 -41.18 34.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.649 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.4 -70.64 1.92 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.917 -0.659 . . . . 0.0 114.068 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.9 t -64.59 -24.43 67.59 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.5 ' CB ' HD12 ' A' ' 20' ' ' LEU . 20.2 m -82.03 4.26 23.57 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.96 -29.43 69.29 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.042 0.449 . . . . 0.0 110.74 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.49 -27.25 72.89 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.961 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.18 -40.77 67.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.001 0.429 . . . . 0.0 109.96 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.5 mt -64.66 -41.46 92.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.631 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.519 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 5.2 p -71.93 -32.23 67.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.032 -178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 32' ' ' LYS . 1.4 tmtp? -79.84 -48.45 13.5 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -81.88 -49.34 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.0 tp -94.37 -8.8 37.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.639 0.257 . . . . 0.0 111.296 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 31' ' ' SER . 73.2 mmtt 71.84 -5.75 1.62 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.417 0.687 . . . . 0.0 111.431 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 36' ' ' VAL . 11.9 p 42.4 96.38 0.04 OUTLIER Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.209 1.404 . . . . 0.0 114.014 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HB2' ' HB2' ' A' ' 40' ' ' SER . 26.1 Cg_exo -63.83 92.8 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.499 2.132 . . . . 0.0 110.641 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -50.76 -52.16 43.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -173.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -63.92 -41.39 97.67 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.091 0.472 . . . . 0.0 111.657 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' HG12 ' A' ' 44' ' ' ILE . 19.7 m -74.49 -40.75 61.64 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.524 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.52 -37.27 79.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.926 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' HA ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -59.63 -39.23 83.61 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.649 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 m -68.41 -31.4 70.71 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.459 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 40' ' ' SER . 46.1 mm -73.76 -49.19 36.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.641 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 30.2 m -61.1 -37.63 77.81 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.114 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -70.21 -19.65 63.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.195 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -89.33 -55.57 3.61 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.641 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 16.6 p90 -68.15 -26.13 65.61 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.08 -0.648 . . . . 0.0 111.96 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -76.8 -39.74 50.46 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.121 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -70.98 -39.54 72.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.562 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -77.51 -37.57 50.77 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.687 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 113.69 -177.779 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.912 0.387 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -64.51 -39.88 94.6 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.181 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.78 -44.0 78.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.096 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -64.48 -40.96 96.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.368 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.78 -29.16 67.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.144 0.497 . . . . 0.0 110.107 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.628 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.6 tppt? -70.92 -56.14 6.89 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.744 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 tt -60.39 -39.49 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.2 m -65.43 -35.18 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 121.111 0.481 . . . . 0.0 110.84 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -74.42 -37.88 63.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.787 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 66.7 mt -68.13 -29.25 68.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.595 178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -60.71 -37.06 80.41 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.095 0.474 . . . . 0.0 110.071 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -77.23 -26.09 52.27 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.0 m -73.25 -51.09 18.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.91 -81.5 0.29 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.848 -0.692 . . . . 0.0 113.618 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.6 t -59.47 -32.55 70.35 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -176.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.1 p -63.38 -23.85 67.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.9 -40.95 87.85 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.92 -28.95 74.0 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.444 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.32 -52.02 45.48 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.532 0.206 . . . . 0.0 110.469 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.463 HD13 HD12 ' A' ' 20' ' ' LEU . 34.2 pt -69.07 -28.51 39.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.512 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 32.5 t -63.11 -44.4 95.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.08 0.467 . . . . 0.0 109.987 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 35.8 ttpt -75.05 -32.19 61.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.426 178.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -77.43 -63.51 1.36 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.931 -176.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 pp -109.91 -3.5 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' SER . 36.7 ttmt 65.98 96.49 0.05 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.737 0.648 . . . . 0.0 111.279 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 17.3 m -71.35 112.99 15.73 Favored Pre-proline 0 C--N 1.313 -0.987 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 177.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 36' ' ' VAL . 9.3 Cg_exo -71.45 125.47 11.28 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.292 1.995 . . . . 0.0 111.267 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HA ' HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -58.35 -42.73 87.56 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.701 -178.32 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.4 t -62.63 -34.69 77.55 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 m -80.93 -45.33 16.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.727 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 38' ' ' ARG . 7.8 p -64.79 -42.11 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.698 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' HA ' HG22 ' A' ' 45' ' ' VAL . 77.3 mt-30 -71.15 -26.36 62.96 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.2 p -79.29 -38.66 34.82 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.944 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 pp -74.31 -34.37 36.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.423 ' HA ' ' CD2' ' A' ' 48' ' ' TYR . 30.1 m -65.98 -34.12 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.853 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -80.03 -34.14 38.59 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.301 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -69.55 -47.59 63.19 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.542 -177.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' A' ' 45' ' ' VAL . 2.8 p90 -67.57 -28.71 68.0 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.622 -179.002 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -70.47 -41.26 72.99 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.942 0.401 . . . . 0.0 109.991 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -68.17 -27.99 66.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.951 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -81.73 -10.35 59.39 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.855 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.249 0 CA-C-N 116.415 -0.357 . . . . 0.0 112.621 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 120.861 0.362 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.82 -39.6 92.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.604 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.57 -43.33 73.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.509 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -66.41 -38.14 86.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.705 0.288 . . . . 0.0 111.498 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -70.28 -26.83 63.98 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.89 177.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -76.43 -44.37 36.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.417 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.3 tp -60.25 -38.07 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.885 0.374 . . . . 0.0 110.714 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.6 -37.98 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.143 0.497 . . . . 0.0 109.793 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.13 -44.38 97.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.613 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.32 -25.51 65.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.177 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -70.63 -25.85 63.21 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.891 0.377 . . . . 0.0 110.286 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.66 -14.78 57.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.347 0.594 . . . . 0.0 109.518 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.1 t -83.68 -47.32 11.35 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . 82.4 -69.12 3.4 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.804 -0.635 . . . . 0.0 113.798 175.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 m -70.32 -14.83 62.75 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.6 t -98.59 9.15 43.89 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-O 121.033 0.444 . . . . 0.0 110.695 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -68.28 -38.5 81.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.527 -178.752 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.5 96.65 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.405 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.56 -55.86 24.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.75 0.31 . . . . 0.0 111.214 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 pt -68.93 -31.61 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.726 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 52.6 m -64.42 -38.59 91.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.756 0.312 . . . . 0.0 111.143 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.07 -42.59 17.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.731 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -63.86 -60.04 3.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.269 -177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.14 -11.25 55.54 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.856 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' SER . 85.4 tttt 57.77 76.33 0.33 Allowed 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.85 0.719 . . . . 0.0 110.39 -177.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.3 t -107.34 107.91 61.07 Favored Pre-proline 0 C--N 1.313 -0.99 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.187 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.4 140.22 93.3 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.67 2.246 . . . . 0.0 111.264 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -61.26 -27.06 68.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.61 -178.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -62.53 -37.81 87.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.197 0.523 . . . . 0.0 109.742 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.1 t -73.56 -37.45 65.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 45' ' ' VAL . 93.0 t -59.37 -48.65 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.171 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.403 ' HA ' HG22 ' A' ' 45' ' ' VAL . 6.9 tt0 -55.88 -37.84 69.36 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.622 178.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.6 m -62.63 -44.29 96.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.442 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 pp -81.88 -37.15 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.73 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 31.4 m -65.76 -40.16 86.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.91 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.451 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 79.5 ttt180 -67.53 -36.75 81.6 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 110.58 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -67.7 -49.8 60.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.61 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.73 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 3.1 p90 -73.83 -31.96 63.47 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.066 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 46' ' ' ARG . 19.5 pttp -71.87 -24.78 61.73 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.995 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -75.03 -42.02 58.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.941 0.401 . . . . 0.0 110.744 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -81.21 -38.41 27.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.066 0.46 . . . . 0.0 110.336 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.059 0 CA-C-N 115.864 -0.607 . . . . 0.0 113.762 -177.603 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.28 -53.25 46.83 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.314 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.55 -46.35 84.01 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.193 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 18' ' ' VAL . 43.5 ttp180 -61.43 -37.74 84.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.239 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -72.35 -48.44 41.83 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.178 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.632 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.7 mmtp -66.29 -41.21 90.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.977 -177.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.17 -35.27 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 120.744 0.307 . . . . 0.0 110.87 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 14' ' ' ARG . 94.1 t -65.07 -49.42 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 120.857 0.36 . . . . 0.0 110.111 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.52 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 22.0 m-20 -66.2 -32.57 74.08 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.614 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 90.9 mt -67.62 -34.34 76.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.835 0.35 . . . . 0.0 110.327 177.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -73.56 -26.63 60.93 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.007 0.432 . . . . 0.0 110.42 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' A' ' 19' ' ' ASP . 45.6 mtpt -77.47 -5.61 50.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.022 177.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 m -106.89 -38.94 5.92 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.644 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.22 -62.51 4.62 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 116.057 -0.519 . . . . 0.0 113.349 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.1 p -69.6 -6.23 29.76 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -85.45 -8.85 58.16 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.816 0.341 . . . . 0.0 111.195 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.87 -37.15 81.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 32' ' ' LYS . . . -57.3 -45.23 93.0 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.87 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.552 ' O ' ' HG2' ' A' ' 33' ' ' ARG . . . -60.47 -57.15 13.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.689 0.28 . . . . 0.0 111.485 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.8 pt -63.8 -30.04 48.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -67.39 -40.07 85.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.776 0.322 . . . . 0.0 111.039 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' GLY . 14.2 ptmm? -84.22 -32.18 24.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.1 ptm180 -91.05 -49.67 6.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.447 -178.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.529 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 53.0 tp -96.41 -20.56 18.35 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -174.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HD2' ' C ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 39.23 63.25 0.98 Allowed 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 121.819 0.818 . . . . 0.0 112.128 -177.138 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.8 p -71.27 133.6 85.36 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.84 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.7 125.76 20.14 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.88 2.387 . . . . 0.0 112.112 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 2.6 ptp180 -60.5 -28.55 68.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.635 -178.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 p -60.07 -35.76 75.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.027 0.442 . . . . 0.0 110.578 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.502 ' O ' HG12 ' A' ' 44' ' ' ILE . 32.1 t -80.95 -35.13 32.66 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.962 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.5 t -62.94 -52.67 56.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.261 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 38' ' ' ARG . 69.0 mm-40 -66.06 -30.93 71.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.395 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.0 t -76.31 -26.27 55.67 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.95 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 40' ' ' SER . 38.1 mm -79.06 -40.55 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.954 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.614 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 35.1 m -60.27 -40.54 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -77.24 -21.68 53.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.149 0.5 . . . . 0.0 110.612 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -82.65 -47.48 12.0 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.594 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.614 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 2.9 p90 -64.92 -32.03 73.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.295 -177.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -67.11 -39.08 86.61 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.439 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -68.56 -35.85 77.97 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.229 0.538 . . . . 0.0 110.09 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -73.12 -19.62 61.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.295 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.017 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.412 -178.5 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 . . . . . 0 N--CA 1.463 0.224 0 CA-C-O 120.598 0.237 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.605 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 24.4 t70 -64.03 -47.59 79.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.773 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -55.85 -47.83 76.59 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.358 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -59.55 -48.76 80.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.945 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -60.38 -32.85 71.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.572 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 33.0 mmtp -74.07 -55.72 5.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.221 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 tp -60.99 -42.09 91.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.91 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.49 -43.53 90.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.824 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.11 -48.28 82.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.4 -25.02 66.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.048 -0.523 . . . . 0.0 112.26 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -67.73 -27.97 67.24 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.49 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -11.86 43.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.972 0.415 . . . . 0.0 110.521 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 m -82.75 -49.44 9.74 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.95 -51.33 4.31 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 114.726 0.65 . . . . 0.0 114.726 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.1 t -56.58 -42.94 79.51 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.1 m -96.17 21.37 8.98 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.1 tm? -68.16 -46.52 70.53 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.19 -35.59 92.29 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.68 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.17 64.44 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.617 0.246 . . . . 0.0 111.299 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.8 pt -70.53 -34.57 57.99 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 p -65.15 -32.71 74.54 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.031 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -83.48 -39.53 20.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.459 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -63.54 -43.92 95.73 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.322 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.2 tp -82.77 -25.05 33.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.124 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt 57.65 65.38 1.34 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.678 0.752 . . . . 0.0 109.968 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 p -114.62 122.95 33.0 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.788 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -58.6 145.72 94.11 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.633 2.222 . . . . 0.0 112.141 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -53.94 -41.61 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.359 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -62.02 -30.19 70.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.469 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.436 ' O ' HG12 ' A' ' 44' ' ' ILE . 36.2 t -81.09 -28.27 35.31 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.907 0.384 . . . . 0.0 110.307 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.54 -43.08 83.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.469 ' HA ' HG22 ' A' ' 45' ' ' VAL . 55.1 tp60 -59.57 -40.29 86.86 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.431 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 p -67.75 -24.72 65.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.783 0.325 . . . . 0.0 111.719 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 40' ' ' SER . 48.1 mm -85.58 -45.48 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.81 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.662 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 29.1 m -64.55 -39.14 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.558 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -71.77 -26.44 62.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.152 0.501 . . . . 0.0 110.241 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -67.91 -46.16 72.38 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.334 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.662 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 8.6 p90 -76.24 -11.97 60.01 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.722 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 72.7 mmtt -66.85 -48.33 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.195 0.521 . . . . 0.0 109.754 175.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -77.04 -47.47 20.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.313 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -65.19 -37.34 87.02 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.877 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.723 0 C-N-CA 120.396 -0.907 . . . . 0.0 112.728 -179.619 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -124.0 169.93 11.15 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.008 0.433 . . . . 0.0 110.385 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -102.35 -178.54 3.72 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.069 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.59 95.22 1.16 Allowed Glycine 0 N--CA 1.436 -1.306 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.71 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -117.31 114.4 23.53 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -147.65 162.58 38.85 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.423 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -125.75 171.13 10.89 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.622 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -127.37 -63.15 1.06 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.799 0.333 . . . . 0.0 110.405 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.5 mt -123.72 148.84 27.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 46.7 t -63.51 105.91 0.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 49.6 tt0 -64.35 -33.64 76.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.19 -51.58 68.39 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.36 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.76 -41.85 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.077 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 10' ' ' SER . 75.4 mtp180 -63.02 -44.25 96.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.566 -178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 31.9 mmmt -72.83 -41.43 64.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.174 0.511 . . . . 0.0 110.296 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' O ' HD23 ' A' ' 20' ' ' LEU . 30.2 ttpt -62.49 -50.03 73.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.969 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.0 tp -59.36 -39.15 78.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 120.795 0.331 . . . . 0.0 110.939 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.3 t -69.29 -48.92 65.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.43 -39.8 92.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.457 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 16' ' ' LYS . 4.5 mm? -70.18 -24.8 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.666 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -67.89 -28.08 67.21 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.067 0.461 . . . . 0.0 110.265 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -79.32 -20.78 47.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.828 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.6 m -81.84 -46.35 14.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.732 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.42 -63.58 4.32 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.918 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m -73.96 -4.04 32.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -115.1 8.9 15.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.253 0.549 . . . . 0.0 110.671 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.09 -40.44 74.96 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.019 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.08 -23.56 69.72 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.477 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.78 -54.88 15.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.731 0.3 . . . . 0.0 111.132 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 pt -68.76 -31.16 49.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.49 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 17.9 m -75.43 -11.52 60.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -85.73 -44.58 12.41 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.847 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -75.93 -55.28 5.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.796 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 73.4 mt -94.51 -12.18 28.16 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -174.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER 35.98 68.25 0.25 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.637 0.775 . . . . 0.0 112.736 -177.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.24 124.91 87.04 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.663 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HG2' ' OG ' ' A' ' 40' ' ' SER . 27.9 Cg_endo -64.85 155.31 68.32 Favored 'Trans proline' 0 C--O 1.241 0.641 0 C-N-CA 122.643 2.229 . . . . 0.0 112.277 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HA ' HG12 ' A' ' 41' ' ' VAL . 32.7 ttm180 -56.84 -43.2 80.88 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.594 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -59.76 -37.67 79.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.198 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.407 ' OG ' ' HG2' ' A' ' 37' ' ' PRO . 64.8 m -72.54 -41.38 65.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 38' ' ' ARG . 14.1 p -73.35 -34.56 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.249 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.9 OUTLIER -70.89 -30.86 67.34 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.982 0.42 . . . . 0.0 110.793 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 p -78.06 -37.39 46.83 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.665 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.05 -30.73 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.7 m -67.08 -30.98 51.29 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.488 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -64.02 -46.83 82.71 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.21 -41.79 94.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.629 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -63.22 -47.84 80.82 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 120.61 0.243 . . . . 0.0 110.718 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.71 -31.91 73.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.104 0.478 . . . . 0.0 110.46 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -71.7 -46.41 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.513 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 15.3 m-70 -75.46 -14.95 60.46 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.734 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.49 -33.88 87.73 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.8 p -98.23 111.3 23.68 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.355 -0.422 . . . . 0.0 109.864 176.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.1 p 51.42 72.51 0.37 Allowed 'General case' 0 C--O 1.239 0.542 0 C-N-CA 123.482 0.713 . . . . 0.0 112.146 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 51' ' ' HIS . 26.5 tt0 -70.01 102.45 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.976 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -67.81 147.27 52.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.947 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 . . . . . 0 C--N 1.308 -1.208 0 CA-C-O 118.701 -0.666 . . . . 0.0 109.825 -178.889 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.481 0 CA-C-O 120.604 0.24 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 p -93.76 157.04 16.34 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.475 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.0 ttp -100.77 121.2 41.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.911 0.386 . . . . 0.0 111.135 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.22 85.66 0.81 Allowed Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -65.85 135.74 55.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.16 0.505 . . . . 0.0 111.291 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 t -159.75 108.44 1.77 Allowed 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.204 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -75.31 129.93 38.22 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.536 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -66.3 143.72 57.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.309 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.7 mm -66.23 93.25 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 121.361 0.6 . . . . 0.0 110.108 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m -101.35 18.24 20.56 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.646 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -56.62 -53.4 58.07 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.485 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' HA ' ' HE2' ' A' ' 15' ' ' LYS . 14.6 m-20 -63.41 -45.31 91.57 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.63 -40.85 97.91 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.973 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' ' 18' ' ' VAL . 35.0 ttt180 -64.82 -53.17 51.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.764 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 12' ' ' ASP . 65.3 pttt -62.13 -31.62 72.11 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.916 -178.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' HD13 ' A' ' 20' ' ' LEU . 83.9 tttt -73.42 -47.6 40.44 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.674 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 14' ' ' ARG . 12.6 tt -61.86 -26.65 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.625 0.25 . . . . 0.0 110.991 -178.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 14' ' ' ARG . 77.6 t -62.79 -47.09 94.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.37 -40.25 95.48 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.18 0.514 . . . . 0.0 110.165 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 16' ' ' LYS . 8.3 mp -60.95 -33.52 73.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.081 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.4 ' NE2' HG11 ' A' ' 45' ' ' VAL . 14.2 m80 -66.23 -41.02 90.61 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.136 0.493 . . . . 0.0 110.487 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -72.84 -17.23 61.57 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.887 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -90.0 -29.96 18.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.582 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.97 -70.99 2.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.249 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.9 t -61.83 -37.36 84.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.87 0.367 . . . . 0.0 111.37 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.491 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . 3.8 m -67.16 -18.47 65.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.498 -178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.95 -49.35 58.75 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.1 -31.15 76.93 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.445 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.71 -55.42 32.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 111.359 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.0 pt -71.48 -32.79 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.453 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.478 ' HA ' HG12 ' A' ' 36' ' ' VAL . 49.2 m -61.82 -35.14 77.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.996 0.427 . . . . 0.0 110.819 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.506 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 10.9 tmtt? -80.6 -39.88 26.73 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.669 178.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -69.16 -63.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 pp -95.95 -4.24 43.72 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' SER . 75.2 mmtt 57.7 77.51 0.28 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.029 0.443 . . . . 0.0 111.663 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 31' ' ' SER . 10.5 p -91.47 136.81 26.38 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.5 Cg_endo -59.98 96.05 0.1 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.621 2.214 . . . . 0.0 111.307 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -66.16 -26.41 67.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.061 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 m -65.39 -33.54 76.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.0 109.646 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.531 ' O ' HG22 ' A' ' 43' ' ' THR . 22.2 t -77.53 -38.62 48.4 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.29 177.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 37' ' ' PRO . 83.9 t -61.6 -50.75 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.058 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 13.7 pt20 -62.1 -28.49 69.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 40' ' ' SER . 2.5 t -81.82 -34.24 30.33 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.137 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 pt -79.73 -30.48 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.403 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.661 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 29.4 m -67.28 -35.47 73.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.103 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 84.8 mtp180 -62.92 -38.82 92.5 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -68.4 -40.5 81.29 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.474 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -33.38 74.07 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.387 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 34.6 mmtp -59.65 -35.77 75.07 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.965 0.412 . . . . 0.0 110.293 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -74.05 -47.04 39.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.495 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -68.08 -25.28 65.26 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.473 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.42 -25.82 74.6 Favored Glycine 0 C--N 1.321 -0.28 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.783 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.7 m -90.29 -29.67 17.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.161 0.505 . . . . 0.0 110.434 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.0 p -112.9 30.98 6.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.72 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -71.88 160.27 32.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.902 0.382 . . . . 0.0 110.733 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -97.8 47.42 1.01 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.061 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 35.7 m80 . . . . . 0 C--O 1.238 0.48 0 CA-C-O 117.905 -1.045 . . . . 0.0 111.413 -178.517 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.56 0.219 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -127.1 26.96 6.0 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -177.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.2 mtp -73.45 113.13 10.2 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.84 55.56 28.4 Favored Glycine 0 CA--C 1.518 0.271 0 CA-C-N 115.553 -0.749 . . . . 0.0 114.005 177.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -74.75 -41.26 60.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.321 0.582 . . . . 0.0 109.568 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -170.56 -166.53 0.52 Allowed 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -72.89 100.68 2.98 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.263 0.554 . . . . 0.0 109.56 176.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -60.06 -67.85 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.025 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.455 HG22 ' H ' ' A' ' 12' ' ' ASP . 4.9 mp -126.68 121.87 59.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.037 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m -61.21 -42.82 99.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.746 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -62.84 -40.54 97.76 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 110.385 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.455 ' H ' HG22 ' A' ' 9' ' ' ILE . 18.8 t70 -63.03 -51.09 68.1 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.874 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.92 -44.02 94.54 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.522 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.6 mmt85 -58.41 -48.73 79.73 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.616 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -70.55 -39.32 74.04 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.113 0.483 . . . . 0.0 110.538 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HA ' ' OD2' ' A' ' 19' ' ' ASP . 26.2 ttmt -62.46 -46.29 89.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.873 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.5 tp -61.26 -30.18 47.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.258 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.0 t -70.51 -54.23 19.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.575 ' OD2' ' HA ' ' A' ' 16' ' ' LYS . 3.0 p30 -64.65 -32.06 73.56 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.58 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 84.5 mt -68.39 -18.78 64.53 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.978 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -76.39 -20.79 56.78 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.158 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -87.13 -27.65 22.96 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 m -66.1 -50.09 65.26 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.819 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.68 -77.27 0.93 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.223 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -60.28 -40.02 88.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.796 0.332 . . . . 0.0 111.706 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -64.86 -20.67 66.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.334 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 tp -67.08 -38.9 86.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 109.965 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.41 -29.63 67.92 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.36 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.13 59.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.8 pt -68.18 -26.51 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.387 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.582 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 67.6 m -67.74 -28.83 67.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.938 0.399 . . . . 0.0 110.658 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -89.48 -44.48 10.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -80.52 -44.38 19.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -93.97 -23.72 17.94 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.644 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 31' ' ' SER . 62.3 mttp 57.38 68.97 0.78 Allowed 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.252 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 m -79.0 130.39 70.05 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.865 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.438 ' O ' HG23 ' A' ' 41' ' ' VAL . 20.3 Cg_endo -63.63 122.16 10.16 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.473 2.115 . . . . 0.0 111.688 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -58.33 -33.64 69.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.702 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.1 m -59.32 -39.17 82.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.499 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.5 m -76.95 -33.29 57.69 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.424 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 45' ' ' VAL . 85.2 t -59.77 -47.29 91.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.311 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 53.5 mt-30 -62.08 -28.06 69.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.021 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 m -74.16 -46.27 43.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 pp -74.51 -27.0 20.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.453 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 27.2 m -67.2 -39.21 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.629 178.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 37.2 mmt180 -72.33 -30.82 65.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -65.0 -61.84 1.91 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.648 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 5.3 p90 -64.59 -31.07 72.13 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.479 -176.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -70.32 -50.75 36.0 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -71.37 -35.67 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.948 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -64.88 -36.32 83.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.44 -13.7 77.35 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.439 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.0 m -80.73 -38.0 29.53 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.018 0.437 . . . . 0.0 109.899 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.7 m -86.9 -52.33 5.53 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.03 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -99.96 146.07 27.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.581 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -83.13 101.48 11.21 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 59.4 t60 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.151 -179.17 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.919 0.39 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -91.58 157.74 16.82 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.042 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 ptm -115.41 141.08 48.53 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.141 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.98 -72.29 1.26 Allowed Glycine 0 N--CA 1.439 -1.133 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.224 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -143.89 109.98 5.37 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 m -153.36 110.41 3.45 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.78 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -121.93 -67.46 0.96 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.056 0.455 . . . . 0.0 110.32 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -171.0 -28.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.326 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 tt -60.77 88.66 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-O 121.783 0.801 . . . . 0.0 111.391 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m -102.73 23.58 11.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.363 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -56.03 -37.11 68.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.788 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 25.6 t70 -68.4 -45.3 73.05 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.204 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.68 -44.95 86.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.126 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 18' ' ' VAL . 45.1 ttp180 -63.4 -47.05 83.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.133 178.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' A' ' 15' ' ' LYS . 34.7 ttpt -57.31 -44.78 84.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.443 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 33.3 mmtp -63.58 -54.45 35.75 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.572 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 tt -57.48 -40.83 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.66 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 14' ' ' ARG . 91.6 t -65.26 -45.98 92.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 120.971 0.415 . . . . 0.0 110.186 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.98 -40.37 97.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.896 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 16' ' ' LYS . 4.2 mm? -64.26 -38.27 90.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -63.36 -50.17 70.99 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.094 0.473 . . . . 0.0 110.125 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -69.66 -16.71 63.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.551 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.7 t -69.13 -43.83 73.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.32 -62.2 3.44 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.793 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 t -65.63 -25.31 67.31 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 122.388 0.275 . . . . 0.0 111.209 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -102.01 13.39 34.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.863 0.363 . . . . 0.0 111.562 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.24 -32.55 74.04 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 111.097 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.1 -31.4 66.6 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.862 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.14 -51.28 59.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.756 0.312 . . . . 0.0 111.333 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.79 -37.34 79.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 120.744 0.307 . . . . 0.0 111.406 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 t -72.02 -26.65 62.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -81.23 -40.68 23.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.324 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -88.84 -53.46 4.6 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.541 -0.463 . . . . 0.0 112.226 -178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.5 -34.96 53.97 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.897 -177.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 7.2 mtpm? 55.21 49.43 17.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.134 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 15.3 m -61.1 133.5 92.7 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.459 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 41' ' ' VAL . 51.8 Cg_exo -55.26 138.12 78.71 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.934 2.422 . . . . 0.0 112.146 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -58.02 -47.31 83.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.973 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.3 m -62.83 -32.23 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.999 0.428 . . . . 0.0 110.763 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -74.95 -30.95 61.36 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.743 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 37' ' ' PRO . 76.1 t -59.32 -53.7 44.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -60.72 -33.9 73.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.421 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.3 m -72.15 -43.1 65.15 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.336 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -70.3 -40.96 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 116.811 -0.177 . . . . 0.0 110.794 -178.25 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.716 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 26.8 m -66.7 -30.39 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 121.079 0.466 . . . . 0.0 110.52 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -73.53 -38.53 65.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.239 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -59.15 -58.38 8.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.163 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.716 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 25.8 p90 -69.2 -28.09 66.07 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.551 -177.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -69.32 -51.49 36.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -61.92 -47.22 85.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.426 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -58.94 -53.89 53.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.493 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.57 -40.12 94.08 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.796 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.0 m -74.73 -25.4 59.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.893 0.347 . . . . 0.0 111.891 -176.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 m -87.72 -16.71 33.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.317 0.58 . . . . 0.0 110.474 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -89.68 103.8 16.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.029 0.442 . . . . 0.0 110.836 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -118.7 -57.29 2.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.408 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 43.3 m80 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.087 179.557 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.665 0 CA-C-O 120.53 0.205 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -84.08 2.22 40.34 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.4 mtm -75.67 -37.4 59.62 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.24 47.94 3.83 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.037 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt 65.14 111.88 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.825 0.85 . . . . 0.0 112.92 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.474 ' HA ' ' OD2' ' A' ' 12' ' ' ASP . 5.0 p -77.64 98.64 5.5 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.852 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -168.8 -40.68 0.02 OUTLIER 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.752 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.92 -56.17 7.75 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 12' ' ' ASP . 45.5 mm -73.48 120.07 21.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.177 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.0 m -54.07 -43.89 70.66 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -69.45 -37.72 77.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.659 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.474 ' OD2' ' HA ' ' A' ' 6' ' ' SER . 33.3 t70 -67.28 -39.35 86.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.573 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.2 tp -70.17 -34.46 73.03 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.887 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -64.08 -35.25 80.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -74.56 -34.34 62.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.269 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HD2' ' O ' ' A' ' 6' ' ' SER . 40.3 tttp -60.09 -50.64 72.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.317 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.8 tt -62.47 -27.07 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 120.963 0.411 . . . . 0.0 110.75 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -81.21 -39.61 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.244 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.43 -48.57 77.23 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.198 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.39 -18.72 65.24 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.584 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -41.51 71.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.763 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -77.45 -12.43 59.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.384 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.7 m -76.07 -29.19 57.89 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.199 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.33 -60.1 4.85 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.117 -0.563 . . . . 0.0 113.008 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 p -76.46 2.1 14.64 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.404 ' O ' HG12 ' A' ' 30' ' ' ILE . 15.9 m -110.58 11.68 22.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.638 0.256 . . . . 0.0 111.282 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.36 -51.26 46.36 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.456 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.73 71.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.067 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.06 -63.09 1.19 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.632 0.253 . . . . 0.0 110.606 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 26' ' ' SER . 11.8 pt -62.16 -36.01 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.923 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 34.2 t -62.33 -42.96 99.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.558 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -92.1 -43.15 9.54 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.578 -0.449 . . . . 0.0 112.095 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -60.76 -56.43 21.34 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 111.166 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -77.95 -28.79 49.63 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 31' ' ' SER . 35.6 ttpt 57.21 34.02 24.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.013 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -72.27 130.68 85.87 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.258 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -50.51 130.26 29.07 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.712 2.275 . . . . 0.0 111.34 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -59.61 -23.37 62.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 m -69.67 -39.09 77.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.944 0.402 . . . . 0.0 109.956 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 t -70.82 -35.72 72.62 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 44' ' ' ILE . 62.5 t -67.58 -43.2 87.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.999 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -60.19 -42.47 95.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.78 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.403 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 12.7 t -70.96 -31.91 68.61 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.956 -177.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 41' ' ' VAL . 2.6 pp -79.54 -33.3 15.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.223 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.16 -30.41 27.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.434 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -61.77 -44.94 95.9 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.047 0.451 . . . . 0.0 109.869 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 43' ' ' THR . 95.1 mttt -65.42 -38.57 90.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.208 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -66.4 -44.16 83.77 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.835 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -61.54 -34.6 75.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.645 0.259 . . . . 0.0 110.72 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -65.37 -41.2 94.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -66.69 -30.03 70.18 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' HA2' ' H ' ' A' ' 57' ' ' HIS . . . -72.83 -9.36 75.09 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.709 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.2 m -96.17 -35.91 11.14 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 121.249 0.547 . . . . 0.0 109.69 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.6 p -84.36 -68.97 0.68 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.374 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -82.77 -30.38 28.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.565 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 27.1 t60 69.72 82.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.576 177.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.469 ' H ' ' HA2' ' A' ' 52' ' ' GLY . 76.1 t60 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.34 -0.838 . . . . 0.0 112.38 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 111.467 0.173 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p 57.08 175.14 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.023 0.929 . . . . 0.0 112.64 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.0 mtt -80.28 107.92 13.47 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.236 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.66 -44.74 88.95 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.53 -0.843 . . . . 0.0 111.251 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm 177.95 -55.95 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.674 0.39 . . . . 0.0 110.242 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 t 70.67 -72.77 0.11 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.739 0.649 . . . . 0.0 109.845 -177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -166.07 99.54 0.64 Allowed 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -78.59 -9.98 59.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.896 0.379 . . . . 0.0 111.417 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.3 mm -83.82 58.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.354 0.597 . . . . 0.0 110.056 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.7 p -101.25 -72.84 0.67 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.604 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -74.08 -17.93 60.89 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.329 0.585 . . . . 0.0 109.744 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 22.6 t70 -58.31 -33.98 70.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.144 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.75 -38.34 86.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.196 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -67.31 -44.73 78.48 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.388 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -73.19 -28.65 62.32 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.679 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 7.1 tptp -68.55 -48.38 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 -178.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.576 ' O ' ' HB2' ' A' ' 21' ' ' HIS . 10.0 tp -61.58 -29.92 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.8 t -80.93 -45.48 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.873 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.2 -55.59 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.806 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.92 -23.09 65.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.914 0.387 . . . . 0.0 111.244 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.576 ' HB2' ' O ' ' A' ' 17' ' ' ILE . 65.2 t60 -61.04 -41.25 96.23 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.422 0.629 . . . . 0.0 110.049 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HE3' ' OH ' ' A' ' 48' ' ' TYR . 4.7 mtpm? -90.11 -5.79 56.14 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.531 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -80.38 -19.74 45.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.181 0.515 . . . . 0.0 109.849 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.24 -73.08 2.7 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 113.304 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p -65.23 -21.71 66.78 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.936 0.398 . . . . 0.0 111.712 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -84.53 5.44 27.61 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.539 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -46.51 83.58 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.16 -17.1 71.67 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.127 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.6 ' O ' ' HG2' ' A' ' 33' ' ' ARG . . . -76.41 -53.47 8.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.669 0.271 . . . . 0.0 110.634 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 7.5 pt -61.68 -39.49 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.437 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.8 t -63.41 -30.95 72.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.204 0.526 . . . . 0.0 110.358 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -80.05 -60.5 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.894 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.2 ptm180 -76.86 -39.72 50.12 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 4.4 mm? -80.54 -36.33 33.24 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.882 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.3 tttp 59.21 46.21 13.25 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.525 0.678 . . . . 0.0 109.818 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 34' ' ' LEU . 10.9 m -94.03 136.63 23.5 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.535 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 36' ' ' VAL . 29.7 Cg_exo -62.87 149.83 90.24 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.482 2.121 . . . . 0.0 111.281 177.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -61.09 -34.59 75.18 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.502 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -59.48 -38.5 81.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.666 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.5 m -68.0 -42.35 80.85 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 109.924 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.98 -48.34 88.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.406 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.47 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 17.1 mm-40 -60.75 -29.97 69.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.063 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.8 m -74.79 -43.02 56.96 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.426 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 pp -75.59 -30.52 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 30.3 m -68.92 -39.15 79.5 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.186 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 99.6 mtt180 -64.16 -38.07 89.74 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.585 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.01 -43.3 88.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.302 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.422 ' OH ' ' HE3' ' A' ' 22' ' ' LYS . 73.6 t80 -68.27 -43.36 77.96 Favored 'General case' 0 N--CA 1.422 -1.835 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.547 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 33.2 mmmt -59.77 -43.74 94.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.748 0.308 . . . . 0.0 110.717 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -71.27 -30.18 65.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.19 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.403 ' HA ' ' OG1' ' A' ' 54' ' ' THR . 26.9 t-80 -74.54 -29.52 61.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.24 -31.13 79.6 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.6 p -86.58 -39.92 15.69 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.749 0.309 . . . . 0.0 111.162 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 51' ' ' HIS . 21.8 p -67.4 -40.56 85.62 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.028 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -82.93 100.61 10.51 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -138.6 119.83 14.67 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.768 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 . . . . . 0 C--N 1.316 -0.881 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.72 179.392 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.695 0 CA-C-O 120.74 0.305 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -114.46 -71.77 0.73 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.46 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.8 ttt -90.49 -22.38 21.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.789 0.328 . . . . 0.0 111.413 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.48 25.01 2.07 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.59 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -78.38 106.56 10.39 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m 64.41 70.22 0.5 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.545 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -111.98 92.31 3.98 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.608 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -80.46 111.55 16.97 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.643 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.3 pt -68.72 -21.0 25.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.8 m -66.48 -25.79 66.88 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.86 -48.9 70.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' OD2' ' HE2' ' A' ' 16' ' ' LYS . 27.5 t70 -67.34 -41.38 85.31 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.987 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.578 ' O ' HG12 ' A' ' 17' ' ' ILE . 59.6 tp -56.16 -52.19 65.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.162 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -58.96 -40.26 84.2 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 178.584 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -60.17 -36.62 77.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.245 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HE2' ' OD2' ' A' ' 12' ' ' ASP . 67.3 mttm -77.64 -42.44 34.83 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.258 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 13' ' ' LEU . 33.3 mm -50.8 -50.6 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 48' ' ' TYR . 52.8 t -61.34 -47.69 92.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.09 -47.25 87.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.235 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.86 -34.0 77.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.583 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -66.76 -35.56 80.38 Favored 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.603 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.76 -20.06 60.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.002 0.429 . . . . 0.0 110.179 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.0 m -79.08 -21.94 45.99 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.672 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.82 -89.16 1.06 Allowed Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.161 -0.542 . . . . 0.0 113.554 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.1 m -63.06 -42.66 99.74 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -59.8 -22.04 61.66 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.704 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.76 -35.66 81.32 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.366 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.8 -34.33 89.64 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.242 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -62.65 -50.67 70.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.462 0.172 . . . . 0.0 111.38 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.2 pt -69.25 -30.4 45.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.293 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 t -64.88 -37.62 88.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -73.79 -36.02 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.643 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 97.0 mtt180 -74.01 -49.96 21.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.006 -178.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.2 mt -82.58 -31.19 29.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.758 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 58.8 31.93 21.72 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.638 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -67.82 127.21 93.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -47.01 129.09 14.58 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.046 2.498 . . . . 0.0 112.313 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -56.68 -35.1 68.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.341 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -63.53 -37.46 87.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.964 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -73.49 -36.84 65.83 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.226 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.18 -39.32 84.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.132 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.454 ' HA ' HG22 ' A' ' 45' ' ' VAL . 29.8 tt0 -58.68 -36.01 73.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.673 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.0 m -66.15 -43.39 87.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.433 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.7 mm -65.25 -50.38 73.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.252 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.719 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 34.3 m -60.73 -42.01 90.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.017 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -70.49 -31.07 68.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.766 0.317 . . . . 0.0 110.835 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.36 -39.83 77.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.231 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.719 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 2.2 p90 -75.97 -21.77 56.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.492 178.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 68.2 mttm -70.54 -37.19 74.04 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.56 -34.67 72.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 176.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.453 ' HA ' ' HB2' ' A' ' 55' ' ' GLN . 55.0 t-80 -59.83 -40.75 89.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.7 -11.05 83.33 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.339 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.0 m -69.17 -72.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.4 m -137.78 -1.78 1.99 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 118.365 -1.334 . . . . 0.0 112.319 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.453 ' HB2' ' HA ' ' A' ' 51' ' ' HIS . 21.0 mp0 -84.83 80.83 9.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.875 0.369 . . . . 0.0 111.044 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 60.99 64.81 1.08 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.931 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 29.0 t60 . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.026 -179.34 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.637 0.256 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -82.07 -46.09 14.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.983 0.421 . . . . 0.0 110.968 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.9 mtp -95.96 2.85 53.76 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.209 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.53 160.51 30.03 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.291 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -84.55 98.98 10.44 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.008 0.433 . . . . 0.0 110.661 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -165.02 113.36 1.03 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.513 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -90.11 -26.97 19.94 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.343 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -150.98 117.86 5.85 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.3 tt -86.46 138.94 18.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 m -88.84 100.48 13.2 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -173.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -95.32 -65.17 0.99 Allowed 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 172.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.91 -46.12 89.31 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.194 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.3 -31.98 70.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -69.77 -31.66 69.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.147 0.498 . . . . 0.0 110.47 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -80.15 -32.69 38.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.039 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -64.8 -49.21 71.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.811 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.8 tp -58.69 -30.88 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.933 0.397 . . . . 0.0 110.616 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.84 -52.08 18.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.29 -37.36 86.95 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.553 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.9 mt -77.65 -13.33 59.93 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.362 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.53 -15.89 44.26 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.331 0.586 . . . . 0.0 109.592 175.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -75.31 -41.94 55.7 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.9 p -77.62 -42.35 35.26 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.845 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.59 -30.3 2.54 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.758 -0.655 . . . . 0.0 113.808 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 p -72.0 -11.94 61.0 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.477 ' O ' HG12 ' A' ' 30' ' ' ILE . 9.7 m -102.27 2.02 36.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.677 0.275 . . . . 0.0 111.221 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.45 -56.14 25.0 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.588 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.37 -24.85 71.0 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 121.224 -0.512 . . . . 0.0 113.128 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.14 -55.68 7.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.767 0.317 . . . . 0.0 111.25 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 26' ' ' SER . 21.5 pt -67.71 -38.45 80.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 p -65.17 -28.64 69.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.0 0.429 . . . . 0.0 110.672 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 5.1 ttmp? -83.76 -48.75 9.77 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.736 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -62.17 -49.04 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -88.94 -7.82 55.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.339 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 56.43 61.3 2.74 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.224 0.535 . . . . 0.0 110.128 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -80.6 128.51 71.95 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.276 -178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.33 120.32 8.16 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.462 2.108 . . . . 0.0 111.504 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -55.21 -33.13 62.8 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.1 m -78.56 -40.48 34.69 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.069 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 m -71.09 -33.09 69.84 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.796 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.55 -28.19 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.183 0.516 . . . . 0.0 109.906 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.462 ' HA ' HG22 ' A' ' 45' ' ' VAL . 56.9 tt0 -76.44 -27.35 56.17 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.259 0.552 . . . . 0.0 109.582 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.5 m -67.42 -46.66 72.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.82 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.45 81.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 42' ' ' GLN . 28.6 m -72.05 -24.65 22.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.538 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -69.97 -47.94 60.27 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.507 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.28 -29.55 67.46 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.927 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -62.88 -39.78 95.51 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.95 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -66.28 -45.25 81.09 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.222 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -64.11 -34.37 77.89 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.517 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -69.07 -24.02 64.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 110.168 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.67 -13.24 76.09 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.1 m -74.43 -60.49 2.25 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -140.84 -61.6 0.49 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 118.966 -1.094 . . . . 0.0 111.719 173.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 66.16 77.44 0.29 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.252 0.621 . . . . 0.0 111.819 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 52.62 74.02 0.31 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.815 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.976 177.356 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . . . . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.552 0.215 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -91.93 -55.64 3.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.034 0.445 . . . . 0.0 111.074 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.34 -55.17 3.14 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.6 -177.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.18 67.67 1.77 Allowed Glycine 0 C--N 1.333 0.402 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.677 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 1' ' ' ALA . 29.4 tptp -174.8 -33.0 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 m 73.39 155.34 0.16 Allowed 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.261 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -133.33 149.91 51.87 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -96.23 164.12 12.8 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.707 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 mm -87.61 136.46 23.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.444 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -85.03 143.56 28.82 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.474 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -69.52 -19.68 63.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.39 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -52.16 -43.2 63.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.555 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.86 -45.15 79.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.381 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 18' ' ' VAL . 58.9 ttp180 -64.08 -40.17 95.67 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.749 -178.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -71.31 -36.66 71.7 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.648 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -60.95 -52.23 65.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.192 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tp -59.68 -39.71 80.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.893 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 14' ' ' ARG . 96.4 t -64.46 -50.3 76.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 120.674 0.273 . . . . 0.0 110.919 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.496 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 9.5 m-20 -61.58 -38.14 86.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HG ' HD11 ' A' ' 30' ' ' ILE . 4.1 mm? -70.91 -28.14 64.3 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.514 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -68.33 -43.5 77.41 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.026 0.441 . . . . 0.0 109.963 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' A' ' 19' ' ' ASP . 44.6 mtpt -59.3 -44.48 92.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.043 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.8 m -72.51 -39.97 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.335 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.98 63.04 4.05 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.999 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -145.33 -74.37 0.23 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.1 m -77.64 36.48 0.21 Allowed 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -174.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.52 -38.1 77.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.078 0.466 . . . . 0.0 110.062 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.17 -33.27 86.8 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.548 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.09 82.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.959 0.409 . . . . 0.0 110.104 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.414 HD11 ' HG ' ' A' ' 20' ' ' LEU . 57.4 mt -60.41 -33.58 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.416 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 42.9 m -59.84 -35.52 74.91 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.565 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -95.14 -34.68 12.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.496 -0.482 . . . . 0.0 112.181 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -80.04 -30.3 39.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -119.06 -2.64 10.74 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 31' ' ' SER . 25.5 pttm 43.51 36.18 1.12 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.452 0.701 . . . . 0.0 112.006 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -72.77 124.36 90.66 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.564 -177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -81.78 159.35 18.81 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 122.428 2.085 . . . . 0.0 111.383 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -59.63 -25.28 64.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.971 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -55.3 -42.25 73.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.113 0.482 . . . . 0.0 110.156 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 m -81.93 -28.93 32.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.968 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.3 t -70.84 -57.69 7.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HA ' HG22 ' A' ' 45' ' ' VAL . 6.4 mp0 -59.29 -34.02 71.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.7 p -74.82 -29.0 60.93 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.663 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -39.09 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.957 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.685 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 31.2 m -65.5 -35.85 76.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-O 120.771 0.32 . . . . 0.0 111.2 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -72.19 -29.89 64.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.669 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -69.63 -57.02 5.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.358 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.685 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 19.4 p90 -66.86 -34.15 77.18 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -71.91 -31.85 66.8 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.528 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.463 ' O ' HG22 ' A' ' 54' ' ' THR . 10.4 t60 -74.48 -46.0 42.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.075 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -57.32 -50.43 72.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.477 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.26 -30.54 76.92 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.77 -0.728 . . . . 0.0 114.179 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 t -88.25 -21.3 24.56 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 50' ' ' HIS . 11.3 t -109.26 -28.35 9.05 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 119.393 -0.923 . . . . 0.0 113.079 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -72.56 -27.99 62.55 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.649 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -146.62 145.04 29.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.801 0.334 . . . . 0.0 110.96 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 . . . . . 0 C--N 1.318 -0.772 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.061 -179.001 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 120.729 0.299 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -95.23 -57.82 2.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.8 ttt -119.5 128.63 54.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.24 33.57 5.12 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -73.93 173.88 9.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -76.61 -44.05 35.95 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 tttm 67.97 -74.33 0.07 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.639 0.776 . . . . 0.0 111.497 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -127.51 -165.22 1.45 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.1 mt -82.59 96.44 3.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.3 p -64.04 167.09 6.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.433 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 89.6 mt-30 -66.31 -29.56 69.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 177.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -65.92 -43.74 87.22 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.775 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.6 tp -71.77 -33.27 68.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.369 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -60.42 -41.34 93.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 52.4 mtmt -67.54 -23.75 65.47 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' O ' HD23 ' A' ' 20' ' ' LEU . 1.2 tmtp? -65.84 -44.38 85.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.39 -47.35 92.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.223 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.21 -56.26 18.23 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.051 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.55 -42.88 95.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.5 HD12 ' CB ' ' A' ' 26' ' ' SER . 4.5 mm? -69.61 -21.65 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.6 -32.76 74.55 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 174.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -16.02 56.54 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.505 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -78.25 -41.18 34.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.649 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.4 -70.64 1.92 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.917 -0.659 . . . . 0.0 114.068 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.9 t -64.59 -24.43 67.59 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.5 ' CB ' HD12 ' A' ' 20' ' ' LEU . 20.2 m -82.03 4.26 23.57 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.96 -29.43 69.29 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.042 0.449 . . . . 0.0 110.74 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.49 -27.25 72.89 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.961 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.18 -40.77 67.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.001 0.429 . . . . 0.0 109.96 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.5 mt -64.66 -41.46 92.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.631 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.519 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 5.2 p -71.93 -32.23 67.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.032 -178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 32' ' ' LYS . 1.4 tmtp? -79.84 -48.45 13.5 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -81.88 -49.34 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.0 tp -94.37 -8.8 37.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.639 0.257 . . . . 0.0 111.296 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 31' ' ' SER . 73.2 mmtt 71.84 -5.75 1.62 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.417 0.687 . . . . 0.0 111.431 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 36' ' ' VAL . 11.9 p 42.4 96.38 0.04 OUTLIER Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.209 1.404 . . . . 0.0 114.014 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HB2' ' HB2' ' A' ' 40' ' ' SER . 26.1 Cg_exo -63.83 92.8 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.499 2.132 . . . . 0.0 110.641 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -50.76 -52.16 43.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -173.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -63.92 -41.39 97.67 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.091 0.472 . . . . 0.0 111.657 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' HG12 ' A' ' 44' ' ' ILE . 19.7 m -74.49 -40.75 61.64 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.524 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.52 -37.27 79.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.926 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' HA ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -59.63 -39.23 83.61 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.649 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 m -68.41 -31.4 70.71 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.459 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 40' ' ' SER . 46.1 mm -73.76 -49.19 36.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.641 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 30.2 m -61.1 -37.63 77.81 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.114 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -70.21 -19.65 63.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.195 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -89.33 -55.57 3.61 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.641 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 16.6 p90 -68.15 -26.13 65.61 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.08 -0.648 . . . . 0.0 111.96 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -76.8 -39.74 50.46 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.121 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -70.98 -39.54 72.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.562 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -77.51 -37.57 50.77 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.687 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.55 -16.13 75.69 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 113.69 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 p -93.45 3.07 56.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 117.187 0.493 . . . . 0.0 111.499 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.8 m -129.24 -37.73 1.64 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.29 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -124.93 -171.63 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.107 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -81.3 168.45 18.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.87 0.366 . . . . 0.0 110.789 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 . . . . . 0 C--N 1.316 -0.872 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.796 176.574 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 p 52.53 93.21 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.827 0.851 . . . . 0.0 112.432 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.3 ptp -69.47 -18.34 63.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.84 -130.31 22.41 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.038 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.8 tttt 179.91 -52.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -164.69 98.77 0.78 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.436 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 9' ' ' ILE . 55.9 pttt -136.97 138.9 41.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.771 0.319 . . . . 0.0 111.757 -176.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.472 ' HB3' ' H ' ' A' ' 9' ' ' ILE . 0.6 OUTLIER 65.69 -91.95 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.254 179.288 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.472 ' H ' ' HB3' ' A' ' 8' ' ' GLU . 9.4 mt 49.88 50.89 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 123.824 0.85 . . . . 0.0 112.981 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.4 m -100.17 125.8 46.35 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -55.94 -49.34 73.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.014 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -64.51 -39.88 94.6 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.181 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.78 -44.0 78.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.096 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -64.48 -40.96 96.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.368 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.78 -29.16 67.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.144 0.497 . . . . 0.0 110.107 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.628 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.6 tppt? -70.92 -56.14 6.89 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.744 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 tt -60.39 -39.49 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.2 m -65.43 -35.18 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 121.111 0.481 . . . . 0.0 110.84 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -74.42 -37.88 63.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.787 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 66.7 mt -68.13 -29.25 68.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.595 178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -60.71 -37.06 80.41 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.095 0.474 . . . . 0.0 110.071 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -77.23 -26.09 52.27 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.0 m -73.25 -51.09 18.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.91 -81.5 0.29 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.848 -0.692 . . . . 0.0 113.618 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.6 t -59.47 -32.55 70.35 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -176.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.1 p -63.38 -23.85 67.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.9 -40.95 87.85 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.92 -28.95 74.0 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.444 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.32 -52.02 45.48 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.532 0.206 . . . . 0.0 110.469 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.463 HD13 HD12 ' A' ' 20' ' ' LEU . 34.2 pt -69.07 -28.51 39.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.512 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 32.5 t -63.11 -44.4 95.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.08 0.467 . . . . 0.0 109.987 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 35.8 ttpt -75.05 -32.19 61.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.426 178.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -77.43 -63.51 1.36 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.931 -176.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 pp -109.91 -3.5 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' SER . 36.7 ttmt 65.98 96.49 0.05 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.737 0.648 . . . . 0.0 111.279 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 17.3 m -71.35 112.99 15.73 Favored Pre-proline 0 C--N 1.313 -0.987 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 177.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 36' ' ' VAL . 9.3 Cg_exo -71.45 125.47 11.28 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.292 1.995 . . . . 0.0 111.267 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HA ' HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -58.35 -42.73 87.56 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.701 -178.32 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.4 t -62.63 -34.69 77.55 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 m -80.93 -45.33 16.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.727 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 38' ' ' ARG . 7.8 p -64.79 -42.11 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.698 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' HA ' HG22 ' A' ' 45' ' ' VAL . 77.3 mt-30 -71.15 -26.36 62.96 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.2 p -79.29 -38.66 34.82 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.944 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 pp -74.31 -34.37 36.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.423 ' HA ' ' CD2' ' A' ' 48' ' ' TYR . 30.1 m -65.98 -34.12 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.853 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -80.03 -34.14 38.59 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.301 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -69.55 -47.59 63.19 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.542 -177.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' A' ' 45' ' ' VAL . 2.8 p90 -67.57 -28.71 68.0 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.622 -179.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -70.47 -41.26 72.99 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.942 0.401 . . . . 0.0 109.991 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -68.17 -27.99 66.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.951 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -81.73 -10.35 59.39 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.855 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.03 -31.3 61.43 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 116.415 -0.357 . . . . 0.0 112.621 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 t -68.87 -26.59 65.2 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 120.839 0.352 . . . . 0.0 111.288 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 p -116.77 13.0 15.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.327 0.584 . . . . 0.0 110.605 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -75.34 123.17 24.89 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.889 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -108.98 160.87 15.67 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.401 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 . . . . . 0 C--N 1.311 -1.069 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.51 178.963 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 120.681 0.277 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -93.18 129.67 39.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.578 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptm -74.4 -13.7 60.76 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.971 0.415 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.2 -162.28 17.12 Favored Glycine 0 N--CA 1.439 -1.141 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.367 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -125.67 163.86 21.88 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 116.796 0.298 . . . . 0.0 110.388 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -67.29 -41.22 85.77 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -126.52 140.53 52.38 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.01 178.28 7.09 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.425 0.631 . . . . 0.0 112.49 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.1 tt -145.41 77.04 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-O 122.049 0.928 . . . . 0.0 109.128 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.6 m -78.91 21.89 0.4 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.064 -177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -59.58 -47.19 86.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.861 0.362 . . . . 0.0 110.825 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.82 -39.6 92.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.604 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.57 -43.33 73.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.509 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -66.41 -38.14 86.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.705 0.288 . . . . 0.0 111.498 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -70.28 -26.83 63.98 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.89 177.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -76.43 -44.37 36.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.417 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.3 tp -60.25 -38.07 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.885 0.374 . . . . 0.0 110.714 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.6 -37.98 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.143 0.497 . . . . 0.0 109.793 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.13 -44.38 97.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.613 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.32 -25.51 65.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.177 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -70.63 -25.85 63.21 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.891 0.377 . . . . 0.0 110.286 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.66 -14.78 57.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.347 0.594 . . . . 0.0 109.518 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.1 t -83.68 -47.32 11.35 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . 82.4 -69.12 3.4 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.804 -0.635 . . . . 0.0 113.798 175.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 m -70.32 -14.83 62.75 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.6 t -98.59 9.15 43.89 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-O 121.033 0.444 . . . . 0.0 110.695 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -68.28 -38.5 81.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.527 -178.752 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.5 96.65 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.405 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.56 -55.86 24.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.75 0.31 . . . . 0.0 111.214 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 pt -68.93 -31.61 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.726 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 52.6 m -64.42 -38.59 91.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.756 0.312 . . . . 0.0 111.143 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.07 -42.59 17.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.731 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -63.86 -60.04 3.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.269 -177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.14 -11.25 55.54 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.856 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' SER . 85.4 tttt 57.77 76.33 0.33 Allowed 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.85 0.719 . . . . 0.0 110.39 -177.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.3 t -107.34 107.91 61.07 Favored Pre-proline 0 C--N 1.313 -0.99 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.187 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.4 140.22 93.3 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.67 2.246 . . . . 0.0 111.264 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -61.26 -27.06 68.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.61 -178.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -62.53 -37.81 87.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.197 0.523 . . . . 0.0 109.742 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.1 t -73.56 -37.45 65.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 45' ' ' VAL . 93.0 t -59.37 -48.65 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.171 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.403 ' HA ' HG22 ' A' ' 45' ' ' VAL . 6.9 tt0 -55.88 -37.84 69.36 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.622 178.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.6 m -62.63 -44.29 96.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.442 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 pp -81.88 -37.15 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.73 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 31.4 m -65.76 -40.16 86.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.91 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.451 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 79.5 ttt180 -67.53 -36.75 81.6 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 110.58 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -67.7 -49.8 60.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.61 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.73 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 3.1 p90 -73.83 -31.96 63.47 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.066 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 46' ' ' ARG . 19.5 pttp -71.87 -24.78 61.73 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.995 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -75.03 -42.02 58.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.941 0.401 . . . . 0.0 110.744 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -81.21 -38.41 27.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.066 0.46 . . . . 0.0 110.336 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.31 21.32 7.28 Favored Glycine 0 N--CA 1.44 -1.059 0 CA-C-N 115.864 -0.607 . . . . 0.0 113.762 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.3 m -74.15 -62.71 1.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.73 13.86 4.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.306 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 75.25 -56.28 0.62 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.848 0.859 . . . . 0.0 109.978 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -110.55 79.93 1.26 Allowed 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 175.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.8 t60 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.454 -0.784 . . . . 0.0 111.113 -178.56 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 120.518 0.199 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -81.69 -34.92 30.38 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.802 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.4 mmt 69.95 -63.66 0.38 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.642 0.777 . . . . 0.0 111.993 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.89 168.86 28.44 Favored Glycine 0 N--CA 1.436 -1.358 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -113.88 116.88 30.0 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 120.549 0.214 . . . . 0.0 110.672 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t 67.38 13.15 9.26 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.347 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -96.23 -50.07 4.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.748 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -91.46 -65.39 1.01 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.814 0.34 . . . . 0.0 110.58 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.8 mt -104.8 92.38 2.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.037 0.446 . . . . 0.0 110.415 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 p -95.54 165.94 12.09 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.062 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.97 -40.38 93.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.28 -53.25 46.83 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.314 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.55 -46.35 84.01 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.193 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 18' ' ' VAL . 43.5 ttp180 -61.43 -37.74 84.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.239 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -72.35 -48.44 41.83 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.178 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.632 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.7 mmtp -66.29 -41.21 90.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.977 -177.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.17 -35.27 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 120.744 0.307 . . . . 0.0 110.87 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 14' ' ' ARG . 94.1 t -65.07 -49.42 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 120.857 0.36 . . . . 0.0 110.111 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.52 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 22.0 m-20 -66.2 -32.57 74.08 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.614 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 90.9 mt -67.62 -34.34 76.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.835 0.35 . . . . 0.0 110.327 177.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -73.56 -26.63 60.93 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.007 0.432 . . . . 0.0 110.42 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' A' ' 19' ' ' ASP . 45.6 mtpt -77.47 -5.61 50.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.022 177.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 m -106.89 -38.94 5.92 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.644 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.22 -62.51 4.62 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 116.057 -0.519 . . . . 0.0 113.349 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.1 p -69.6 -6.23 29.76 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -85.45 -8.85 58.16 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.816 0.341 . . . . 0.0 111.195 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.87 -37.15 81.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 32' ' ' LYS . . . -57.3 -45.23 93.0 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.87 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.552 ' O ' ' HG2' ' A' ' 33' ' ' ARG . . . -60.47 -57.15 13.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.689 0.28 . . . . 0.0 111.485 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.8 pt -63.8 -30.04 48.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -67.39 -40.07 85.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.776 0.322 . . . . 0.0 111.039 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' GLY . 14.2 ptmm? -84.22 -32.18 24.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.1 ptm180 -91.05 -49.67 6.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.447 -178.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.529 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 53.0 tp -96.41 -20.56 18.35 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -174.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HD2' ' C ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 39.23 63.25 0.98 Allowed 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 121.819 0.818 . . . . 0.0 112.128 -177.138 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.8 p -71.27 133.6 85.36 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.84 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.7 125.76 20.14 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.88 2.387 . . . . 0.0 112.112 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 2.6 ptp180 -60.5 -28.55 68.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.635 -178.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 p -60.07 -35.76 75.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.027 0.442 . . . . 0.0 110.578 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.502 ' O ' HG12 ' A' ' 44' ' ' ILE . 32.1 t -80.95 -35.13 32.66 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.962 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.5 t -62.94 -52.67 56.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.261 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 38' ' ' ARG . 69.0 mm-40 -66.06 -30.93 71.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.395 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.0 t -76.31 -26.27 55.67 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.95 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 40' ' ' SER . 38.1 mm -79.06 -40.55 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.954 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.614 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 35.1 m -60.27 -40.54 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -77.24 -21.68 53.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.149 0.5 . . . . 0.0 110.612 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -82.65 -47.48 12.0 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.594 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.614 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 2.9 p90 -64.92 -32.03 73.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.295 -177.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.439 ' O ' HG22 ' A' ' 53' ' ' THR . 19.2 ptpt -67.11 -39.08 86.61 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.439 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -68.56 -35.85 77.97 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.229 0.538 . . . . 0.0 110.09 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -73.12 -19.62 61.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.295 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.472 ' HA2' ' CE1' ' A' ' 57' ' ' HIS . . . -94.45 -37.94 5.18 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.412 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 49' ' ' LYS . 11.7 t -92.17 -28.8 16.84 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -176.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 m -106.9 -55.45 2.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.923 0.392 . . . . 0.0 111.908 -177.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -75.73 122.8 24.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.508 -176.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -74.61 114.04 12.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.472 ' CE1' ' HA2' ' A' ' 52' ' ' GLY . 27.1 p-80 . . . . . 0 C--N 1.308 -1.202 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.036 -176.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 120.345 0.117 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p 53.29 -90.2 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.747 1.219 . . . . 0.0 113.168 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.9 mtp -92.54 -24.68 18.67 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.22 97.98 1.11 Allowed Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.472 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.55 140.17 47.02 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 p -127.1 23.29 6.53 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.308 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 64.46 18.32 11.29 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.934 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 70.89 -52.33 0.68 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.596 0.759 . . . . 0.0 111.653 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 pt -76.24 79.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.618 0.723 . . . . 0.0 110.982 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -92.92 41.09 1.07 Allowed 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.277 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -52.65 -54.9 27.01 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.533 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.605 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 24.4 t70 -64.03 -47.59 79.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.773 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -55.85 -47.83 76.59 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.358 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -59.55 -48.76 80.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.945 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -60.38 -32.85 71.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.572 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 33.0 mmtp -74.07 -55.72 5.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.221 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 tp -60.99 -42.09 91.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.91 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.49 -43.53 90.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.824 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.11 -48.28 82.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.4 -25.02 66.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.048 -0.523 . . . . 0.0 112.26 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -67.73 -27.97 67.24 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.49 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -11.86 43.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.972 0.415 . . . . 0.0 110.521 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 m -82.75 -49.44 9.74 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.95 -51.33 4.31 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 114.726 0.65 . . . . 0.0 114.726 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.1 t -56.58 -42.94 79.51 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.1 m -96.17 21.37 8.98 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.1 tm? -68.16 -46.52 70.53 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.19 -35.59 92.29 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.68 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.17 64.44 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.617 0.246 . . . . 0.0 111.299 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.8 pt -70.53 -34.57 57.99 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 p -65.15 -32.71 74.54 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.031 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -83.48 -39.53 20.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.459 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -63.54 -43.92 95.73 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.322 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.2 tp -82.77 -25.05 33.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.124 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt 57.65 65.38 1.34 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.678 0.752 . . . . 0.0 109.968 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 p -114.62 122.95 33.0 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.788 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -58.6 145.72 94.11 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.633 2.222 . . . . 0.0 112.141 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -53.94 -41.61 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.359 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -62.02 -30.19 70.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.469 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.436 ' O ' HG12 ' A' ' 44' ' ' ILE . 36.2 t -81.09 -28.27 35.31 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.907 0.384 . . . . 0.0 110.307 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.54 -43.08 83.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.469 ' HA ' HG22 ' A' ' 45' ' ' VAL . 55.1 tp60 -59.57 -40.29 86.86 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.431 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 p -67.75 -24.72 65.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.783 0.325 . . . . 0.0 111.719 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 40' ' ' SER . 48.1 mm -85.58 -45.48 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.81 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.662 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 29.1 m -64.55 -39.14 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.558 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -71.77 -26.44 62.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.152 0.501 . . . . 0.0 110.241 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -67.91 -46.16 72.38 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.334 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.662 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 8.6 p90 -76.24 -11.97 60.01 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.722 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 72.7 mmtt -66.85 -48.33 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.195 0.521 . . . . 0.0 109.754 175.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -77.04 -47.47 20.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.313 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -65.19 -37.34 87.02 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.877 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.19 -9.11 63.22 Favored Glycine 0 C--N 1.313 -0.723 0 C-N-CA 120.396 -0.907 . . . . 0.0 112.728 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 m -116.18 -39.84 3.36 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 m -101.8 -20.12 15.05 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -174.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -61.9 -50.42 72.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.203 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -87.22 -37.85 16.88 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 . . . . . 0 C--O 1.247 0.946 0 O-C-N 123.857 0.723 . . . . 0.0 110.861 179.086 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 8.5 tt0 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.19 -51.58 68.39 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.36 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.76 -41.85 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.077 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -63.02 -44.25 96.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.566 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 31.9 mmmt -72.83 -41.43 64.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.174 0.511 . . . . 0.0 110.296 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' O ' HD23 ' A' ' 20' ' ' LEU . 30.2 ttpt -62.49 -50.03 73.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.969 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.0 tp -59.36 -39.15 78.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 120.795 0.331 . . . . 0.0 110.939 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.3 t -69.29 -48.92 65.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.43 -39.8 92.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.457 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 16' ' ' LYS . 4.5 mm? -70.18 -24.8 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.666 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -67.89 -28.08 67.21 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.067 0.461 . . . . 0.0 110.265 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -79.32 -20.78 47.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.828 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.6 m -81.84 -46.35 14.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.732 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.42 -63.58 4.32 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.918 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m -73.96 -4.04 32.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -115.1 8.9 15.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.253 0.549 . . . . 0.0 110.671 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.09 -40.44 74.96 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.019 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.08 -23.56 69.72 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.477 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.78 -54.88 15.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.731 0.3 . . . . 0.0 111.132 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 pt -68.76 -31.16 49.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.49 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 17.9 m -75.43 -11.52 60.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.5 ' NZ ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -85.73 -44.58 12.41 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -75.93 -55.28 5.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.796 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 73.4 mt -94.51 -12.18 28.16 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -174.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER 35.98 68.25 0.25 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.637 0.775 . . . . 0.0 112.736 -177.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.24 124.91 87.04 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.663 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HG2' ' OG ' ' A' ' 40' ' ' SER . 27.9 Cg_endo -64.85 155.31 68.32 Favored 'Trans proline' 0 C--O 1.241 0.641 0 C-N-CA 122.643 2.229 . . . . 0.0 112.277 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HA ' HG12 ' A' ' 41' ' ' VAL . 32.7 ttm180 -56.84 -43.2 80.88 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.594 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -59.76 -37.67 79.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.198 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.407 ' OG ' ' HG2' ' A' ' 37' ' ' PRO . 64.8 m -72.54 -41.38 65.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 38' ' ' ARG . 14.1 p -73.35 -34.56 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.249 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.9 OUTLIER -70.89 -30.86 67.34 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.982 0.42 . . . . 0.0 110.793 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 p -78.06 -37.39 46.83 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.665 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.05 -30.73 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.7 m -67.08 -30.98 51.29 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.488 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -64.02 -46.83 82.71 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.21 -41.79 94.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.629 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -63.22 -47.84 80.82 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 120.61 0.243 . . . . 0.0 110.718 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.71 -31.91 73.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.104 0.478 . . . . 0.0 110.46 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -71.7 -46.41 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.513 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -75.46 -14.95 60.46 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.734 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.611 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 175.73 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 C--O 1.235 0.33 0 CA-C-O 120.682 0.277 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.418 ' HA ' ' HE2' ' A' ' 15' ' ' LYS . 14.6 m-20 -63.41 -45.31 91.57 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.63 -40.85 97.91 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.973 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' ' 18' ' ' VAL . 35.0 ttt180 -64.82 -53.17 51.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.764 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 12' ' ' ASP . 65.3 pttt -62.13 -31.62 72.11 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.916 -178.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' HD13 ' A' ' 20' ' ' LEU . 83.9 tttt -73.42 -47.6 40.44 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.674 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 14' ' ' ARG . 12.6 tt -61.86 -26.65 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.625 0.25 . . . . 0.0 110.991 -178.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 14' ' ' ARG . 77.6 t -62.79 -47.09 94.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.37 -40.25 95.48 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.18 0.514 . . . . 0.0 110.165 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 16' ' ' LYS . 8.3 mp -60.95 -33.52 73.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.081 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.4 ' NE2' HG11 ' A' ' 45' ' ' VAL . 14.2 m80 -66.23 -41.02 90.61 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.136 0.493 . . . . 0.0 110.487 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -72.84 -17.23 61.57 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.887 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -90.0 -29.96 18.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.582 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.97 -70.99 2.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.249 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.9 t -61.83 -37.36 84.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.87 0.367 . . . . 0.0 111.37 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.491 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . 3.8 m -67.16 -18.47 65.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.498 -178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.95 -49.35 58.75 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.1 -31.15 76.93 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.445 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.71 -55.42 32.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 111.359 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.0 pt -71.48 -32.79 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.453 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.478 ' HA ' HG12 ' A' ' 36' ' ' VAL . 49.2 m -61.82 -35.14 77.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.996 0.427 . . . . 0.0 110.819 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.506 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 10.9 tmtt? -80.6 -39.88 26.73 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.669 178.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -69.16 -63.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 pp -95.95 -4.24 43.72 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' SER . 75.2 mmtt 57.7 77.51 0.28 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.029 0.443 . . . . 0.0 111.663 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 31' ' ' SER . 10.5 p -91.47 136.81 26.38 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.436 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.5 Cg_endo -59.98 96.05 0.1 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.621 2.214 . . . . 0.0 111.307 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -66.16 -26.41 67.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.061 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 m -65.39 -33.54 76.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.0 109.646 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.531 ' O ' HG22 ' A' ' 43' ' ' THR . 22.2 t -77.53 -38.62 48.4 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.29 177.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 37' ' ' PRO . 83.9 t -61.6 -50.75 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.058 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 13.7 pt20 -62.1 -28.49 69.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 40' ' ' SER . 2.5 t -81.82 -34.24 30.33 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.137 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 pt -79.73 -30.48 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.403 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.661 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 29.4 m -67.28 -35.47 73.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.103 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 84.8 mtp180 -62.92 -38.82 92.5 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -68.4 -40.5 81.29 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.474 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -33.38 74.07 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.387 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 34.6 mmtp -59.65 -35.77 75.07 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.965 0.412 . . . . 0.0 110.293 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -74.05 -47.04 39.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.495 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -68.08 -25.28 65.26 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.473 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.28 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.783 178.133 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -63.03 -51.09 68.1 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.874 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.92 -44.02 94.54 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.522 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.6 mmt85 -58.41 -48.73 79.73 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.616 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -70.55 -39.32 74.04 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.113 0.483 . . . . 0.0 110.538 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HA ' ' OD2' ' A' ' 19' ' ' ASP . 26.2 ttmt -62.46 -46.29 89.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.873 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.5 tp -61.26 -30.18 47.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.258 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.0 t -70.51 -54.23 19.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.575 ' OD2' ' HA ' ' A' ' 16' ' ' LYS . 3.0 p30 -64.65 -32.06 73.56 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.58 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 84.5 mt -68.39 -18.78 64.53 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.978 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -76.39 -20.79 56.78 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.158 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -87.13 -27.65 22.96 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 m -66.1 -50.09 65.26 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.819 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.68 -77.27 0.93 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.223 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -60.28 -40.02 88.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.796 0.332 . . . . 0.0 111.706 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -64.86 -20.67 66.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.334 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 tp -67.08 -38.9 86.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 109.965 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.41 -29.63 67.92 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.36 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.13 59.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.8 pt -68.18 -26.51 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.387 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.582 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 67.6 m -67.74 -28.83 67.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.938 0.399 . . . . 0.0 110.658 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -89.48 -44.48 10.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -80.52 -44.38 19.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -93.97 -23.72 17.94 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.644 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 31' ' ' SER . 62.3 mttp 57.38 68.97 0.78 Allowed 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.252 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 m -79.0 130.39 70.05 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.865 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.438 ' O ' HG23 ' A' ' 41' ' ' VAL . 20.3 Cg_endo -63.63 122.16 10.16 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.473 2.115 . . . . 0.0 111.688 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -58.33 -33.64 69.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.702 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.1 m -59.32 -39.17 82.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.499 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.5 m -76.95 -33.29 57.69 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.424 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 45' ' ' VAL . 85.2 t -59.77 -47.29 91.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.311 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 53.5 mt-30 -62.08 -28.06 69.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.021 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 m -74.16 -46.27 43.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 pp -74.51 -27.0 20.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.453 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 27.2 m -67.2 -39.21 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.629 178.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 37.2 mmt180 -72.33 -30.82 65.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -65.0 -61.84 1.91 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.648 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 5.3 p90 -64.59 -31.07 72.13 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.479 -176.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -70.32 -50.75 36.0 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -71.37 -35.67 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.948 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -64.88 -36.32 83.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.439 178.651 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 25.6 t70 -68.4 -45.3 73.05 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.204 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.68 -44.95 86.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.126 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 18' ' ' VAL . 45.1 ttp180 -63.4 -47.05 83.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.133 178.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' A' ' 15' ' ' LYS . 34.7 ttpt -57.31 -44.78 84.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.443 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 33.3 mmtp -63.58 -54.45 35.75 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.572 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 tt -57.48 -40.83 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.66 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 14' ' ' ARG . 91.6 t -65.26 -45.98 92.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 120.971 0.415 . . . . 0.0 110.186 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.98 -40.37 97.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.896 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 16' ' ' LYS . 4.2 mm? -64.26 -38.27 90.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -63.36 -50.17 70.99 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.094 0.473 . . . . 0.0 110.125 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -69.66 -16.71 63.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.551 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.7 t -69.13 -43.83 73.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.32 -62.2 3.44 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.793 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 t -65.63 -25.31 67.31 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 122.388 0.275 . . . . 0.0 111.209 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -102.01 13.39 34.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.863 0.363 . . . . 0.0 111.562 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.24 -32.55 74.04 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 111.097 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.1 -31.4 66.6 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.862 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.14 -51.28 59.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.756 0.312 . . . . 0.0 111.333 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.79 -37.34 79.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 120.744 0.307 . . . . 0.0 111.406 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 t -72.02 -26.65 62.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -81.23 -40.68 23.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.324 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -88.84 -53.46 4.6 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.541 -0.463 . . . . 0.0 112.226 -178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.5 -34.96 53.97 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.897 -177.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 7.2 mtpm? 55.21 49.43 17.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.134 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 15.3 m -61.1 133.5 92.7 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.459 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 41' ' ' VAL . 51.8 Cg_exo -55.26 138.12 78.71 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.934 2.422 . . . . 0.0 112.146 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -58.02 -47.31 83.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.973 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.3 m -62.83 -32.23 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.999 0.428 . . . . 0.0 110.763 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -74.95 -30.95 61.36 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.743 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 37' ' ' PRO . 76.1 t -59.32 -53.7 44.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -60.72 -33.9 73.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.421 179.249 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.3 m -72.15 -43.1 65.15 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.336 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -70.3 -40.96 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 116.811 -0.177 . . . . 0.0 110.794 -178.25 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.716 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 26.8 m -66.7 -30.39 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 121.079 0.466 . . . . 0.0 110.52 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -73.53 -38.53 65.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.239 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -59.15 -58.38 8.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.163 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.716 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 25.8 p90 -69.2 -28.09 66.07 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.551 -177.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -69.32 -51.49 36.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -61.92 -47.22 85.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.426 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -58.94 -53.89 53.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.493 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.796 -177.015 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.862 0.363 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.28 -39.35 86.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.573 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.2 tp -70.17 -34.46 73.03 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.887 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -64.08 -35.25 80.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -74.56 -34.34 62.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.269 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -60.09 -50.64 72.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.317 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.8 tt -62.47 -27.07 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 120.963 0.411 . . . . 0.0 110.75 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -81.21 -39.61 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.244 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.43 -48.57 77.23 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.198 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.39 -18.72 65.24 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.584 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -41.51 71.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.763 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -77.45 -12.43 59.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.384 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.7 m -76.07 -29.19 57.89 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.199 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.33 -60.1 4.85 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.117 -0.563 . . . . 0.0 113.008 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 p -76.46 2.1 14.64 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.404 ' O ' HG12 ' A' ' 30' ' ' ILE . 15.9 m -110.58 11.68 22.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.638 0.256 . . . . 0.0 111.282 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.36 -51.26 46.36 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.456 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.73 71.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.067 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.06 -63.09 1.19 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.632 0.253 . . . . 0.0 110.606 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 26' ' ' SER . 11.8 pt -62.16 -36.01 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.923 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 34.2 t -62.33 -42.96 99.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.558 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -92.1 -43.15 9.54 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.578 -0.449 . . . . 0.0 112.095 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -60.76 -56.43 21.34 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 111.166 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -77.95 -28.79 49.63 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 31' ' ' SER . 35.6 ttpt 57.21 34.02 24.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.013 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -72.27 130.68 85.87 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.258 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -50.51 130.26 29.07 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.712 2.275 . . . . 0.0 111.34 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -59.61 -23.37 62.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 m -69.67 -39.09 77.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.944 0.402 . . . . 0.0 109.956 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 t -70.82 -35.72 72.62 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 44' ' ' ILE . 62.5 t -67.58 -43.2 87.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.999 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -60.19 -42.47 95.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.78 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.403 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 12.7 t -70.96 -31.91 68.61 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.956 -177.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 41' ' ' VAL . 2.6 pp -79.54 -33.3 15.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.223 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.16 -30.41 27.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.434 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -61.77 -44.94 95.9 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.047 0.451 . . . . 0.0 109.869 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 43' ' ' THR . 95.1 mttt -65.42 -38.57 90.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.208 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -66.4 -44.16 83.77 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.835 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -61.54 -34.6 75.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.645 0.259 . . . . 0.0 110.72 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -65.37 -41.2 94.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -66.69 -30.03 70.18 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.703 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.709 177.229 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 C--O 1.235 0.341 0 CA-C-O 121.329 0.585 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 22.6 t70 -58.31 -33.98 70.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.144 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.75 -38.34 86.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.196 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -67.31 -44.73 78.48 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.388 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -73.19 -28.65 62.32 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.679 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 7.1 tptp -68.55 -48.38 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 -178.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.576 ' O ' ' HB2' ' A' ' 21' ' ' HIS . 10.0 tp -61.58 -29.92 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.8 t -80.93 -45.48 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.873 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.2 -55.59 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.806 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.92 -23.09 65.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.914 0.387 . . . . 0.0 111.244 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.576 ' HB2' ' O ' ' A' ' 17' ' ' ILE . 65.2 t60 -61.04 -41.25 96.23 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.422 0.629 . . . . 0.0 110.049 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HE3' ' OH ' ' A' ' 48' ' ' TYR . 4.7 mtpm? -90.11 -5.79 56.14 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.531 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -80.38 -19.74 45.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.181 0.515 . . . . 0.0 109.849 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.24 -73.08 2.7 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 113.304 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p -65.23 -21.71 66.78 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.936 0.398 . . . . 0.0 111.712 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -84.53 5.44 27.61 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.539 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -46.51 83.58 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.16 -17.1 71.67 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.127 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.6 ' O ' ' HG2' ' A' ' 33' ' ' ARG . . . -76.41 -53.47 8.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.669 0.271 . . . . 0.0 110.634 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 7.5 pt -61.68 -39.49 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.437 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.8 t -63.41 -30.95 72.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.204 0.526 . . . . 0.0 110.358 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -80.05 -60.5 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.894 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.2 ptm180 -76.86 -39.72 50.12 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 4.4 mm? -80.54 -36.33 33.24 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.882 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.3 tttp 59.21 46.21 13.25 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.525 0.678 . . . . 0.0 109.818 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 34' ' ' LEU . 10.9 m -94.03 136.63 23.5 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.535 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 36' ' ' VAL . 29.7 Cg_exo -62.87 149.83 90.24 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.482 2.121 . . . . 0.0 111.281 177.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -61.09 -34.59 75.18 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.502 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -59.48 -38.5 81.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.666 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.5 m -68.0 -42.35 80.85 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 109.924 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.98 -48.34 88.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.406 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.47 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 17.1 mm-40 -60.75 -29.97 69.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.063 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.8 m -74.79 -43.02 56.96 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.426 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 pp -75.59 -30.52 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 30.3 m -68.92 -39.15 79.5 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.186 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 99.6 mtt180 -64.16 -38.07 89.74 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.585 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.01 -43.3 88.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.302 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.422 ' OH ' ' HE3' ' A' ' 22' ' ' LYS . 73.6 t80 -68.27 -43.36 77.96 Favored 'General case' 0 N--CA 1.422 -1.835 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.547 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 33.2 mmmt -59.77 -43.74 94.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.748 0.308 . . . . 0.0 110.717 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -71.27 -30.18 65.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.19 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -74.54 -29.52 61.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.519 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.502 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.494 ' OD2' ' HE2' ' A' ' 16' ' ' LYS . 27.5 t70 -67.34 -41.38 85.31 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.987 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.578 ' O ' HG12 ' A' ' 17' ' ' ILE . 59.6 tp -56.16 -52.19 65.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.162 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -58.96 -40.26 84.2 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 178.584 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -60.17 -36.62 77.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.245 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HE2' ' OD2' ' A' ' 12' ' ' ASP . 67.3 mttm -77.64 -42.44 34.83 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.258 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 13' ' ' LEU . 33.3 mm -50.8 -50.6 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 48' ' ' TYR . 52.8 t -61.34 -47.69 92.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.09 -47.25 87.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.235 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.86 -34.0 77.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.583 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -66.76 -35.56 80.38 Favored 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.603 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.76 -20.06 60.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.002 0.429 . . . . 0.0 110.179 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.0 m -79.08 -21.94 45.99 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.672 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.82 -89.16 1.06 Allowed Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.161 -0.542 . . . . 0.0 113.554 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.1 m -63.06 -42.66 99.74 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -59.8 -22.04 61.66 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.704 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.76 -35.66 81.32 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.366 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.8 -34.33 89.64 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.242 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -62.65 -50.67 70.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.462 0.172 . . . . 0.0 111.38 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.2 pt -69.25 -30.4 45.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.293 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 t -64.88 -37.62 88.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -73.79 -36.02 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.643 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 97.0 mtt180 -74.01 -49.96 21.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.006 -178.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.2 mt -82.58 -31.19 29.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.758 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 58.8 31.93 21.72 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.638 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -67.82 127.21 93.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -47.01 129.09 14.58 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.046 2.498 . . . . 0.0 112.313 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -56.68 -35.1 68.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.341 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -63.53 -37.46 87.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.964 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -73.49 -36.84 65.83 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.226 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.18 -39.32 84.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.132 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.454 ' HA ' HG22 ' A' ' 45' ' ' VAL . 29.8 tt0 -58.68 -36.01 73.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.673 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.0 m -66.15 -43.39 87.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.433 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.7 mm -65.25 -50.38 73.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.252 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.719 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 34.3 m -60.73 -42.01 90.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.017 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -70.49 -31.07 68.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.766 0.317 . . . . 0.0 110.835 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.36 -39.83 77.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.231 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.719 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 2.2 p90 -75.97 -21.77 56.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.492 178.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 68.2 mttm -70.54 -37.19 74.04 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.56 -34.67 72.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 176.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -59.83 -40.75 89.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.739 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.339 179.237 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--O 1.234 0.255 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.91 -46.12 89.31 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.194 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.3 -31.98 70.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -69.77 -31.66 69.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.147 0.498 . . . . 0.0 110.47 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -80.15 -32.69 38.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.039 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -64.8 -49.21 71.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.811 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.8 tp -58.69 -30.88 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.933 0.397 . . . . 0.0 110.616 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.84 -52.08 18.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.29 -37.36 86.95 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.553 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.9 mt -77.65 -13.33 59.93 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.362 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.53 -15.89 44.26 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.331 0.586 . . . . 0.0 109.592 175.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -75.31 -41.94 55.7 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.9 p -77.62 -42.35 35.26 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.845 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.59 -30.3 2.54 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.758 -0.655 . . . . 0.0 113.808 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 p -72.0 -11.94 61.0 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.477 ' O ' HG12 ' A' ' 30' ' ' ILE . 9.7 m -102.27 2.02 36.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.677 0.275 . . . . 0.0 111.221 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.45 -56.14 25.0 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.588 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.37 -24.85 71.0 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 121.224 -0.512 . . . . 0.0 113.128 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.14 -55.68 7.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.767 0.317 . . . . 0.0 111.25 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 26' ' ' SER . 21.5 pt -67.71 -38.45 80.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 p -65.17 -28.64 69.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.0 0.429 . . . . 0.0 110.672 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 32' ' ' LYS . 5.1 ttmp? -83.76 -48.75 9.77 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.736 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -62.17 -49.04 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -88.94 -7.82 55.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.339 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 56.43 61.3 2.74 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.224 0.535 . . . . 0.0 110.128 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -80.6 128.51 71.95 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.276 -178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.33 120.32 8.16 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.462 2.108 . . . . 0.0 111.504 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -55.21 -33.13 62.8 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.1 m -78.56 -40.48 34.69 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.069 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 m -71.09 -33.09 69.84 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.796 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.55 -28.19 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.183 0.516 . . . . 0.0 109.906 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.462 ' HA ' HG22 ' A' ' 45' ' ' VAL . 9.2 tt0 -76.44 -27.35 56.17 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.259 0.552 . . . . 0.0 109.582 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.5 m -67.42 -46.66 72.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.82 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.45 81.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 42' ' ' GLN . 28.6 m -72.05 -24.65 22.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.538 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -69.97 -47.94 60.27 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.507 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.28 -29.55 67.46 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.927 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -62.88 -39.78 95.51 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.95 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -66.28 -45.25 81.09 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.222 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -64.11 -34.37 77.89 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.517 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -69.07 -24.02 64.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 110.168 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.85 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.115 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 120.675 0.274 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -52.16 -43.2 63.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.555 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.86 -45.15 79.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.381 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 18' ' ' VAL . 58.9 ttp180 -64.08 -40.17 95.67 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.749 -178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -71.31 -36.66 71.7 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.648 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -60.95 -52.23 65.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.192 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tp -59.68 -39.71 80.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.893 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 14' ' ' ARG . 96.4 t -64.46 -50.3 76.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 120.674 0.273 . . . . 0.0 110.919 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.496 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 9.5 m-20 -61.58 -38.14 86.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HG ' HD11 ' A' ' 30' ' ' ILE . 4.1 mm? -70.91 -28.14 64.3 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.514 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -68.33 -43.5 77.41 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.026 0.441 . . . . 0.0 109.963 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' A' ' 19' ' ' ASP . 44.6 mtpt -59.3 -44.48 92.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.043 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.8 m -72.51 -39.97 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.335 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.98 63.04 4.05 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.999 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -145.33 -74.37 0.23 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.1 m -77.64 36.48 0.21 Allowed 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -174.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.52 -38.1 77.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.078 0.466 . . . . 0.0 110.062 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.17 -33.27 86.8 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.548 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.09 82.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.959 0.409 . . . . 0.0 110.104 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.414 HD11 ' HG ' ' A' ' 20' ' ' LEU . 57.4 mt -60.41 -33.58 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.416 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 42.9 m -59.84 -35.52 74.91 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.565 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -95.14 -34.68 12.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.496 -0.482 . . . . 0.0 112.181 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -80.04 -30.3 39.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -119.06 -2.64 10.74 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 31' ' ' SER . 25.5 pttm 43.51 36.18 1.12 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.452 0.701 . . . . 0.0 112.006 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -72.77 124.36 90.66 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.564 -177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -81.78 159.35 18.81 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 122.428 2.085 . . . . 0.0 111.383 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -59.63 -25.28 64.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.971 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -55.3 -42.25 73.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.113 0.482 . . . . 0.0 110.156 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 m -81.93 -28.93 32.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.968 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.3 t -70.84 -57.69 7.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HA ' HG22 ' A' ' 45' ' ' VAL . 6.4 mp0 -59.29 -34.02 71.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.7 p -74.82 -29.0 60.93 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.663 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -39.09 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.957 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.685 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 31.2 m -65.5 -35.85 76.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-O 120.771 0.32 . . . . 0.0 111.2 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -72.19 -29.89 64.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.669 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -69.63 -57.02 5.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.358 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.685 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 19.4 p90 -66.86 -34.15 77.18 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -71.91 -31.85 66.8 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.528 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -74.48 -46.0 42.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.075 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -57.32 -50.43 72.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.477 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 C-N-CA 120.77 -0.728 . . . . 0.0 114.179 -176.583 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 22.1 mt-30 . . . . . 0 N--CA 1.449 -0.515 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -65.92 -43.74 87.22 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.775 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.6 tp -71.77 -33.27 68.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.369 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -60.42 -41.34 93.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 52.4 mtmt -67.54 -23.75 65.47 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' O ' HD23 ' A' ' 20' ' ' LEU . 1.2 tmtp? -65.84 -44.38 85.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.39 -47.35 92.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.223 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.21 -56.26 18.23 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.051 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.55 -42.88 95.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.5 HD12 ' CB ' ' A' ' 26' ' ' SER . 4.5 mm? -69.61 -21.65 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.6 -32.76 74.55 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 174.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -16.02 56.54 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.505 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -78.25 -41.18 34.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.649 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.4 -70.64 1.92 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.917 -0.659 . . . . 0.0 114.068 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.9 t -64.59 -24.43 67.59 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.5 ' CB ' HD12 ' A' ' 20' ' ' LEU . 20.2 m -82.03 4.26 23.57 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.96 -29.43 69.29 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.042 0.449 . . . . 0.0 110.74 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.49 -27.25 72.89 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.961 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.18 -40.77 67.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.001 0.429 . . . . 0.0 109.96 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.5 mt -64.66 -41.46 92.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.631 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.519 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 5.2 p -71.93 -32.23 67.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.032 -178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 32' ' ' LYS . 1.4 tmtp? -79.84 -48.45 13.5 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -81.88 -49.34 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.0 tp -94.37 -8.8 37.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.639 0.257 . . . . 0.0 111.296 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 31' ' ' SER . 73.2 mmtt 71.84 -5.75 1.62 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.417 0.687 . . . . 0.0 111.431 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 36' ' ' VAL . 11.9 p 42.4 96.38 0.04 OUTLIER Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.209 1.404 . . . . 0.0 114.014 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HB2' ' HB2' ' A' ' 40' ' ' SER . 26.1 Cg_exo -63.83 92.8 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.499 2.132 . . . . 0.0 110.641 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -50.76 -52.16 43.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -173.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -63.92 -41.39 97.67 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.091 0.472 . . . . 0.0 111.657 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' HG12 ' A' ' 44' ' ' ILE . 19.7 m -74.49 -40.75 61.64 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.524 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.52 -37.27 79.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.926 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' HA ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -59.63 -39.23 83.61 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.649 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 m -68.41 -31.4 70.71 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.459 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 40' ' ' SER . 46.1 mm -73.76 -49.19 36.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.641 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 30.2 m -61.1 -37.63 77.81 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.114 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -70.21 -19.65 63.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.195 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -89.33 -55.57 3.61 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.641 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 16.6 p90 -68.15 -26.13 65.61 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.08 -0.648 . . . . 0.0 111.96 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -76.8 -39.74 50.46 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.121 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -70.98 -39.54 72.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.562 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -77.51 -37.57 50.77 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.687 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 113.69 -177.779 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.912 0.387 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -64.51 -39.88 94.6 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.181 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.78 -44.0 78.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.096 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -64.48 -40.96 96.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.368 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.78 -29.16 67.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.144 0.497 . . . . 0.0 110.107 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.628 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.6 tppt? -70.92 -56.14 6.89 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.744 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 tt -60.39 -39.49 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.2 m -65.43 -35.18 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 121.111 0.481 . . . . 0.0 110.84 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -74.42 -37.88 63.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.787 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 66.7 mt -68.13 -29.25 68.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.595 178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -60.71 -37.06 80.41 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.095 0.474 . . . . 0.0 110.071 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -77.23 -26.09 52.27 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.0 m -73.25 -51.09 18.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.91 -81.5 0.29 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.848 -0.692 . . . . 0.0 113.618 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.6 t -59.47 -32.55 70.35 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -176.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.1 p -63.38 -23.85 67.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.9 -40.95 87.85 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.92 -28.95 74.0 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.444 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.32 -52.02 45.48 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.532 0.206 . . . . 0.0 110.469 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.463 HD13 HD12 ' A' ' 20' ' ' LEU . 34.2 pt -69.07 -28.51 39.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.512 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 32.5 t -63.11 -44.4 95.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.08 0.467 . . . . 0.0 109.987 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 35.8 ttpt -75.05 -32.19 61.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.426 178.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -77.43 -63.51 1.36 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.931 -176.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 pp -109.91 -3.5 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' SER . 36.7 ttmt 65.98 96.49 0.05 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.737 0.648 . . . . 0.0 111.279 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 17.3 m -71.35 112.99 15.73 Favored Pre-proline 0 C--N 1.313 -0.987 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 177.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 36' ' ' VAL . 9.3 Cg_exo -71.45 125.47 11.28 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.292 1.995 . . . . 0.0 111.267 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HA ' HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -58.35 -42.73 87.56 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.701 -178.32 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.4 t -62.63 -34.69 77.55 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 m -80.93 -45.33 16.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.727 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 38' ' ' ARG . 7.8 p -64.79 -42.11 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.698 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' HA ' HG22 ' A' ' 45' ' ' VAL . 25.1 mt-30 -71.15 -26.36 62.96 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.2 p -79.29 -38.66 34.82 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.944 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 pp -74.31 -34.37 36.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.423 ' HA ' ' CD2' ' A' ' 48' ' ' TYR . 30.1 m -65.98 -34.12 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.853 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -80.03 -34.14 38.59 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.301 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -69.55 -47.59 63.19 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.542 -177.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' A' ' 45' ' ' VAL . 2.8 p90 -67.57 -28.71 68.0 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.622 -179.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -70.47 -41.26 72.99 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.942 0.401 . . . . 0.0 109.991 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -68.17 -27.99 66.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.951 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -81.73 -10.35 59.39 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.855 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.249 0 CA-C-N 116.415 -0.357 . . . . 0.0 112.621 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 120.861 0.362 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.82 -39.6 92.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.604 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.57 -43.33 73.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.509 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -66.41 -38.14 86.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.705 0.288 . . . . 0.0 111.498 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -70.28 -26.83 63.98 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.89 177.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -76.43 -44.37 36.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.417 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.3 tp -60.25 -38.07 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.885 0.374 . . . . 0.0 110.714 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.6 -37.98 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.143 0.497 . . . . 0.0 109.793 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.13 -44.38 97.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.613 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.32 -25.51 65.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.177 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -70.63 -25.85 63.21 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.891 0.377 . . . . 0.0 110.286 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.66 -14.78 57.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.347 0.594 . . . . 0.0 109.518 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.1 t -83.68 -47.32 11.35 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . 82.4 -69.12 3.4 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.804 -0.635 . . . . 0.0 113.798 175.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 m -70.32 -14.83 62.75 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.6 t -98.59 9.15 43.89 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-O 121.033 0.444 . . . . 0.0 110.695 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -68.28 -38.5 81.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.527 -178.752 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.5 96.65 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.405 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.56 -55.86 24.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.75 0.31 . . . . 0.0 111.214 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 pt -68.93 -31.61 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.726 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 52.6 m -64.42 -38.59 91.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.756 0.312 . . . . 0.0 111.143 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.07 -42.59 17.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.731 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -63.86 -60.04 3.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.269 -177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.14 -11.25 55.54 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.856 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' SER . 85.4 tttt 57.77 76.33 0.33 Allowed 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.85 0.719 . . . . 0.0 110.39 -177.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.3 t -107.34 107.91 61.07 Favored Pre-proline 0 C--N 1.313 -0.99 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.187 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.4 140.22 93.3 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.67 2.246 . . . . 0.0 111.264 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -61.26 -27.06 68.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.61 -178.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -62.53 -37.81 87.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.197 0.523 . . . . 0.0 109.742 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.1 t -73.56 -37.45 65.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 45' ' ' VAL . 93.0 t -59.37 -48.65 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.171 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.403 ' HA ' HG22 ' A' ' 45' ' ' VAL . 6.9 tt0 -55.88 -37.84 69.36 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.622 178.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.6 m -62.63 -44.29 96.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.442 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 pp -81.88 -37.15 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.73 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 31.4 m -65.76 -40.16 86.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.91 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.451 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 79.5 ttt180 -67.53 -36.75 81.6 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 110.58 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -67.7 -49.8 60.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.61 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.73 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 3.1 p90 -73.83 -31.96 63.47 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.066 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 46' ' ' ARG . 19.5 pttp -71.87 -24.78 61.73 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.995 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -75.03 -42.02 58.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.941 0.401 . . . . 0.0 110.744 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -81.21 -38.41 27.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.066 0.46 . . . . 0.0 110.336 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.059 0 CA-C-N 115.864 -0.607 . . . . 0.0 113.762 -177.603 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.28 -53.25 46.83 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.314 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.55 -46.35 84.01 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.193 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 18' ' ' VAL . 43.5 ttp180 -61.43 -37.74 84.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.239 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -72.35 -48.44 41.83 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.178 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.632 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.7 mmtp -66.29 -41.21 90.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.977 -177.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.17 -35.27 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 120.744 0.307 . . . . 0.0 110.87 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 14' ' ' ARG . 94.1 t -65.07 -49.42 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 120.857 0.36 . . . . 0.0 110.111 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.52 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 22.0 m-20 -66.2 -32.57 74.08 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.614 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 90.9 mt -67.62 -34.34 76.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.835 0.35 . . . . 0.0 110.327 177.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -73.56 -26.63 60.93 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.007 0.432 . . . . 0.0 110.42 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' A' ' 19' ' ' ASP . 45.6 mtpt -77.47 -5.61 50.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.022 177.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 m -106.89 -38.94 5.92 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.644 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.22 -62.51 4.62 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 116.057 -0.519 . . . . 0.0 113.349 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.1 p -69.6 -6.23 29.76 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -85.45 -8.85 58.16 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.816 0.341 . . . . 0.0 111.195 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.87 -37.15 81.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 32' ' ' LYS . . . -57.3 -45.23 93.0 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.87 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.552 ' O ' ' HG2' ' A' ' 33' ' ' ARG . . . -60.47 -57.15 13.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.689 0.28 . . . . 0.0 111.485 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.8 pt -63.8 -30.04 48.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -67.39 -40.07 85.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.776 0.322 . . . . 0.0 111.039 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' GLY . 14.2 ptmm? -84.22 -32.18 24.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.1 ptm180 -91.05 -49.67 6.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.447 -178.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.529 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 53.0 tp -96.41 -20.56 18.35 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -174.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HD2' ' C ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 39.23 63.25 0.98 Allowed 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 121.819 0.818 . . . . 0.0 112.128 -177.138 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.8 p -71.27 133.6 85.36 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.84 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.7 125.76 20.14 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.88 2.387 . . . . 0.0 112.112 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 2.6 ptp180 -60.5 -28.55 68.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.635 -178.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 p -60.07 -35.76 75.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.027 0.442 . . . . 0.0 110.578 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.502 ' O ' HG12 ' A' ' 44' ' ' ILE . 32.1 t -80.95 -35.13 32.66 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.962 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.5 t -62.94 -52.67 56.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.261 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 38' ' ' ARG . 12.9 mm100 -66.06 -30.93 71.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.395 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.0 t -76.31 -26.27 55.67 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.95 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 40' ' ' SER . 38.1 mm -79.06 -40.55 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.954 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.614 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 35.1 m -60.27 -40.54 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -77.24 -21.68 53.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.149 0.5 . . . . 0.0 110.612 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -82.65 -47.48 12.0 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.594 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.614 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 2.9 p90 -64.92 -32.03 73.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.295 -177.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -67.11 -39.08 86.61 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.439 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -68.56 -35.85 77.97 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.229 0.538 . . . . 0.0 110.09 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -73.12 -19.62 61.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.295 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.017 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.412 -178.5 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 . . . . . 0 N--CA 1.463 0.224 0 CA-C-O 120.598 0.237 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.605 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 24.4 t70 -64.03 -47.59 79.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.773 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -55.85 -47.83 76.59 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.358 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -59.55 -48.76 80.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.945 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -60.38 -32.85 71.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.572 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 33.0 mmtp -74.07 -55.72 5.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.221 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 tp -60.99 -42.09 91.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.91 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.49 -43.53 90.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.824 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.11 -48.28 82.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.4 -25.02 66.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.048 -0.523 . . . . 0.0 112.26 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -67.73 -27.97 67.24 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.49 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -11.86 43.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.972 0.415 . . . . 0.0 110.521 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 m -82.75 -49.44 9.74 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.95 -51.33 4.31 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 114.726 0.65 . . . . 0.0 114.726 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.1 t -56.58 -42.94 79.51 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.1 m -96.17 21.37 8.98 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.1 tm? -68.16 -46.52 70.53 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.19 -35.59 92.29 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.68 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.17 64.44 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.617 0.246 . . . . 0.0 111.299 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.8 pt -70.53 -34.57 57.99 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 p -65.15 -32.71 74.54 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.031 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -83.48 -39.53 20.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.459 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -63.54 -43.92 95.73 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.322 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.2 tp -82.77 -25.05 33.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.124 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt 57.65 65.38 1.34 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.678 0.752 . . . . 0.0 109.968 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 p -114.62 122.95 33.0 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.788 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -58.6 145.72 94.11 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.633 2.222 . . . . 0.0 112.141 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -53.94 -41.61 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.359 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -62.02 -30.19 70.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.469 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.436 ' O ' HG12 ' A' ' 44' ' ' ILE . 36.2 t -81.09 -28.27 35.31 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.907 0.384 . . . . 0.0 110.307 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.54 -43.08 83.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.469 ' HA ' HG22 ' A' ' 45' ' ' VAL . 55.1 tp60 -59.57 -40.29 86.86 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.431 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 p -67.75 -24.72 65.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.783 0.325 . . . . 0.0 111.719 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 40' ' ' SER . 48.1 mm -85.58 -45.48 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.81 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.662 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 29.1 m -64.55 -39.14 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.558 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -71.77 -26.44 62.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.152 0.501 . . . . 0.0 110.241 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -67.91 -46.16 72.38 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.334 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.662 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 8.6 p90 -76.24 -11.97 60.01 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.722 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 72.7 mmtt -66.85 -48.33 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.195 0.521 . . . . 0.0 109.754 175.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -77.04 -47.47 20.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.313 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -65.19 -37.34 87.02 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.877 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.723 0 C-N-CA 120.396 -0.907 . . . . 0.0 112.728 -179.619 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -124.0 169.93 11.15 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.008 0.433 . . . . 0.0 110.385 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -102.35 -178.54 3.72 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.069 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.59 95.22 1.16 Allowed Glycine 0 N--CA 1.436 -1.306 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.71 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -117.31 114.4 23.53 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -147.65 162.58 38.85 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.423 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -125.75 171.13 10.89 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.622 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -127.37 -63.15 1.06 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.799 0.333 . . . . 0.0 110.405 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.5 mt -123.72 148.84 27.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 46.7 t -63.51 105.91 0.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 8.5 tt0 -64.35 -33.64 76.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.19 -51.58 68.39 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.36 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.76 -41.85 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.077 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 10' ' ' SER . 75.4 mtp180 -63.02 -44.25 96.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.566 -178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 31.9 mmmt -72.83 -41.43 64.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.174 0.511 . . . . 0.0 110.296 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' O ' HD23 ' A' ' 20' ' ' LEU . 30.2 ttpt -62.49 -50.03 73.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.969 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.0 tp -59.36 -39.15 78.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 120.795 0.331 . . . . 0.0 110.939 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.3 t -69.29 -48.92 65.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.43 -39.8 92.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.457 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 16' ' ' LYS . 4.5 mm? -70.18 -24.8 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.666 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -67.89 -28.08 67.21 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.067 0.461 . . . . 0.0 110.265 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -79.32 -20.78 47.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.828 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.6 m -81.84 -46.35 14.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.732 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.42 -63.58 4.32 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.918 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m -73.96 -4.04 32.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -115.1 8.9 15.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.253 0.549 . . . . 0.0 110.671 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.09 -40.44 74.96 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.019 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.08 -23.56 69.72 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.477 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.78 -54.88 15.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.731 0.3 . . . . 0.0 111.132 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 pt -68.76 -31.16 49.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.49 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 17.9 m -75.43 -11.52 60.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.5 ' NZ ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -85.73 -44.58 12.41 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -75.93 -55.28 5.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.796 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 73.4 mt -94.51 -12.18 28.16 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -174.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER 35.98 68.25 0.25 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.637 0.775 . . . . 0.0 112.736 -177.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.24 124.91 87.04 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.663 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HG2' ' OG ' ' A' ' 40' ' ' SER . 27.9 Cg_endo -64.85 155.31 68.32 Favored 'Trans proline' 0 C--O 1.241 0.641 0 C-N-CA 122.643 2.229 . . . . 0.0 112.277 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HA ' HG12 ' A' ' 41' ' ' VAL . 32.7 ttm180 -56.84 -43.2 80.88 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.594 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -59.76 -37.67 79.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.198 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.407 ' OG ' ' HG2' ' A' ' 37' ' ' PRO . 64.8 m -72.54 -41.38 65.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 38' ' ' ARG . 14.1 p -73.35 -34.56 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.249 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.9 OUTLIER -70.89 -30.86 67.34 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.982 0.42 . . . . 0.0 110.793 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 p -78.06 -37.39 46.83 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.665 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.05 -30.73 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.7 m -67.08 -30.98 51.29 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.488 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -64.02 -46.83 82.71 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.21 -41.79 94.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.629 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -63.22 -47.84 80.82 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 120.61 0.243 . . . . 0.0 110.718 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.71 -31.91 73.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.104 0.478 . . . . 0.0 110.46 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -71.7 -46.41 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.513 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 15.3 m-70 -75.46 -14.95 60.46 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.734 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.49 -33.88 87.73 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.8 p -98.23 111.3 23.68 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.355 -0.422 . . . . 0.0 109.864 176.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.1 p 51.42 72.51 0.37 Allowed 'General case' 0 C--O 1.239 0.542 0 C-N-CA 123.482 0.713 . . . . 0.0 112.146 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 51' ' ' HIS . 26.5 tt0 -70.01 102.45 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.976 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -67.81 147.27 52.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.947 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 . . . . . 0 C--N 1.308 -1.208 0 CA-C-O 118.701 -0.666 . . . . 0.0 109.825 -178.889 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.481 0 CA-C-O 120.604 0.24 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 p -93.76 157.04 16.34 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.475 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.0 ttp -100.77 121.2 41.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.911 0.386 . . . . 0.0 111.135 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.22 85.66 0.81 Allowed Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -65.85 135.74 55.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.16 0.505 . . . . 0.0 111.291 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 t -159.75 108.44 1.77 Allowed 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.204 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -75.31 129.93 38.22 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.536 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -66.3 143.72 57.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.309 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.7 mm -66.23 93.25 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 121.361 0.6 . . . . 0.0 110.108 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m -101.35 18.24 20.56 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.646 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -56.62 -53.4 58.07 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.485 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' HA ' ' HE2' ' A' ' 15' ' ' LYS . 14.6 m-20 -63.41 -45.31 91.57 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.63 -40.85 97.91 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.973 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' ' 18' ' ' VAL . 35.0 ttt180 -64.82 -53.17 51.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.764 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 12' ' ' ASP . 65.3 pttt -62.13 -31.62 72.11 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.916 -178.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' HD13 ' A' ' 20' ' ' LEU . 83.9 tttt -73.42 -47.6 40.44 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.674 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 14' ' ' ARG . 12.6 tt -61.86 -26.65 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.625 0.25 . . . . 0.0 110.991 -178.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 14' ' ' ARG . 77.6 t -62.79 -47.09 94.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 176.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.37 -40.25 95.48 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.18 0.514 . . . . 0.0 110.165 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 16' ' ' LYS . 8.3 mp -60.95 -33.52 73.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.081 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.4 ' NE2' HG11 ' A' ' 45' ' ' VAL . 14.2 m80 -66.23 -41.02 90.61 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.136 0.493 . . . . 0.0 110.487 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -72.84 -17.23 61.57 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.887 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -90.0 -29.96 18.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.582 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.97 -70.99 2.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.249 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.9 t -61.83 -37.36 84.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.87 0.367 . . . . 0.0 111.37 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.491 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . 3.8 m -67.16 -18.47 65.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.498 -178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.95 -49.35 58.75 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.1 -31.15 76.93 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.445 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.71 -55.42 32.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 111.359 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.0 pt -71.48 -32.79 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.453 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.478 ' HA ' HG12 ' A' ' 36' ' ' VAL . 49.2 m -61.82 -35.14 77.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.996 0.427 . . . . 0.0 110.819 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.506 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 10.9 tmtt? -80.6 -39.88 26.73 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.669 178.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -69.16 -63.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 pp -95.95 -4.24 43.72 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' SER . 75.2 mmtt 57.7 77.51 0.28 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.029 0.443 . . . . 0.0 111.663 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 31' ' ' SER . 10.5 p -91.47 136.81 26.38 Favored Pre-proline 0 C--N 1.313 -0.98 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.5 Cg_endo -59.98 96.05 0.1 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.621 2.214 . . . . 0.0 111.307 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -66.16 -26.41 67.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.061 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.4 m -65.39 -33.54 76.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.0 109.646 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.531 ' O ' HG22 ' A' ' 43' ' ' THR . 22.2 t -77.53 -38.62 48.4 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.29 177.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 37' ' ' PRO . 83.9 t -61.6 -50.75 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.058 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 13.7 pt20 -62.1 -28.49 69.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 40' ' ' SER . 2.5 t -81.82 -34.24 30.33 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 120.083 -0.647 . . . . 0.0 111.137 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 pt -79.73 -30.48 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.403 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.661 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 29.4 m -67.28 -35.47 73.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.103 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 84.8 mtp180 -62.92 -38.82 92.5 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -68.4 -40.5 81.29 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.474 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -33.38 74.07 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.387 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 34.6 mmtp -59.65 -35.77 75.07 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.965 0.412 . . . . 0.0 110.293 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -74.05 -47.04 39.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.495 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -68.08 -25.28 65.26 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.473 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.42 -25.82 74.6 Favored Glycine 0 C--N 1.321 -0.28 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.783 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.7 m -90.29 -29.67 17.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.161 0.505 . . . . 0.0 110.434 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.0 p -112.9 30.98 6.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.72 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -71.88 160.27 32.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.902 0.382 . . . . 0.0 110.733 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -97.8 47.42 1.01 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.061 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 35.7 m80 . . . . . 0 C--O 1.238 0.48 0 CA-C-O 117.905 -1.045 . . . . 0.0 111.413 -178.517 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.56 0.219 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -127.1 26.96 6.0 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -177.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.2 mtp -73.45 113.13 10.2 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.84 55.56 28.4 Favored Glycine 0 CA--C 1.518 0.271 0 CA-C-N 115.553 -0.749 . . . . 0.0 114.005 177.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -74.75 -41.26 60.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.321 0.582 . . . . 0.0 109.568 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -170.56 -166.53 0.52 Allowed 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -72.89 100.68 2.98 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.263 0.554 . . . . 0.0 109.56 176.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -60.06 -67.85 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.025 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.455 HG22 ' H ' ' A' ' 12' ' ' ASP . 4.9 mp -126.68 121.87 59.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.037 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m -61.21 -42.82 99.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.746 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -62.84 -40.54 97.76 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 110.385 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.455 ' H ' HG22 ' A' ' 9' ' ' ILE . 18.8 t70 -63.03 -51.09 68.1 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.874 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.92 -44.02 94.54 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.522 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.6 mmt85 -58.41 -48.73 79.73 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.616 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -70.55 -39.32 74.04 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.113 0.483 . . . . 0.0 110.538 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HA ' ' OD2' ' A' ' 19' ' ' ASP . 26.2 ttmt -62.46 -46.29 89.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.873 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.5 tp -61.26 -30.18 47.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.258 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 14' ' ' ARG . 95.0 t -70.51 -54.23 19.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.575 ' OD2' ' HA ' ' A' ' 16' ' ' LYS . 3.0 p30 -64.65 -32.06 73.56 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.58 -177.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 84.5 mt -68.39 -18.78 64.53 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.978 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -76.39 -20.79 56.78 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 120.955 0.407 . . . . 0.0 110.158 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -87.13 -27.65 22.96 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 m -66.1 -50.09 65.26 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.819 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.68 -77.27 0.93 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.223 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -60.28 -40.02 88.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.796 0.332 . . . . 0.0 111.706 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -64.86 -20.67 66.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.334 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.2 tp -67.08 -38.9 86.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 109.965 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.41 -29.63 67.92 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.36 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.13 59.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.8 pt -68.18 -26.51 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.387 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.582 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 67.6 m -67.74 -28.83 67.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.938 0.399 . . . . 0.0 110.658 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -89.48 -44.48 10.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -80.52 -44.38 19.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -93.97 -23.72 17.94 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.644 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 31' ' ' SER . 62.3 mttp 57.38 68.97 0.78 Allowed 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.252 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 m -79.0 130.39 70.05 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.865 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.438 ' O ' HG23 ' A' ' 41' ' ' VAL . 20.3 Cg_endo -63.63 122.16 10.16 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.473 2.115 . . . . 0.0 111.688 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -58.33 -33.64 69.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.702 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.1 m -59.32 -39.17 82.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.499 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.5 m -76.95 -33.29 57.69 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.424 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 45' ' ' VAL . 85.2 t -59.77 -47.29 91.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.311 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 53.5 mt-30 -62.08 -28.06 69.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.021 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 m -74.16 -46.27 43.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.71 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 pp -74.51 -27.0 20.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.453 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 27.2 m -67.2 -39.21 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.629 178.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 42' ' ' GLN . 37.2 mmt180 -72.33 -30.82 65.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -65.0 -61.84 1.91 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.648 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 5.3 p90 -64.59 -31.07 72.13 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.479 -176.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -70.32 -50.75 36.0 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -71.37 -35.67 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.948 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -64.88 -36.32 83.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.44 -13.7 77.35 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.439 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.0 m -80.73 -38.0 29.53 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.018 0.437 . . . . 0.0 109.899 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.7 m -86.9 -52.33 5.53 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.03 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -99.96 146.07 27.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.581 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -83.13 101.48 11.21 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 59.4 t60 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.151 -179.17 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.919 0.39 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -91.58 157.74 16.82 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.042 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 ptm -115.41 141.08 48.53 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.141 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.98 -72.29 1.26 Allowed Glycine 0 N--CA 1.439 -1.133 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.224 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -143.89 109.98 5.37 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 m -153.36 110.41 3.45 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.78 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -121.93 -67.46 0.96 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.056 0.455 . . . . 0.0 110.32 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -171.0 -28.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.326 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 tt -60.77 88.66 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-O 121.783 0.801 . . . . 0.0 111.391 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m -102.73 23.58 11.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.363 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -56.03 -37.11 68.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.788 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 25.6 t70 -68.4 -45.3 73.05 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.204 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.68 -44.95 86.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.126 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 18' ' ' VAL . 45.1 ttp180 -63.4 -47.05 83.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.133 178.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' A' ' 15' ' ' LYS . 34.7 ttpt -57.31 -44.78 84.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.443 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 33.3 mmtp -63.58 -54.45 35.75 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.572 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 tt -57.48 -40.83 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.66 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 14' ' ' ARG . 91.6 t -65.26 -45.98 92.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 120.971 0.415 . . . . 0.0 110.186 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.98 -40.37 97.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.896 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 16' ' ' LYS . 4.2 mm? -64.26 -38.27 90.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -63.36 -50.17 70.99 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.094 0.473 . . . . 0.0 110.125 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -69.66 -16.71 63.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.551 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.7 t -69.13 -43.83 73.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.32 -62.2 3.44 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.793 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 t -65.63 -25.31 67.31 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 122.388 0.275 . . . . 0.0 111.209 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -102.01 13.39 34.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.863 0.363 . . . . 0.0 111.562 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.24 -32.55 74.04 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 111.097 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.1 -31.4 66.6 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.862 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.14 -51.28 59.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.756 0.312 . . . . 0.0 111.333 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.79 -37.34 79.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 120.744 0.307 . . . . 0.0 111.406 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 t -72.02 -26.65 62.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -81.23 -40.68 23.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.324 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -88.84 -53.46 4.6 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.541 -0.463 . . . . 0.0 112.226 -178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.5 -34.96 53.97 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.897 -177.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 7.2 mtpm? 55.21 49.43 17.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.134 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 15.3 m -61.1 133.5 92.7 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.459 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 41' ' ' VAL . 51.8 Cg_exo -55.26 138.12 78.71 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.934 2.422 . . . . 0.0 112.146 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -58.02 -47.31 83.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.973 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.3 m -62.83 -32.23 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.999 0.428 . . . . 0.0 110.763 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -74.95 -30.95 61.36 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.743 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 37' ' ' PRO . 76.1 t -59.32 -53.7 44.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 42' ' ' GLN . 1.0 OUTLIER -60.72 -33.9 73.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.421 179.249 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.3 m -72.15 -43.1 65.15 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.336 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -70.3 -40.96 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 116.811 -0.177 . . . . 0.0 110.794 -178.25 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.716 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 26.8 m -66.7 -30.39 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 121.079 0.466 . . . . 0.0 110.52 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -73.53 -38.53 65.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.239 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -59.15 -58.38 8.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.163 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.716 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 25.8 p90 -69.2 -28.09 66.07 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.551 -177.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -69.32 -51.49 36.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -61.92 -47.22 85.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.426 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -58.94 -53.89 53.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.493 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.57 -40.12 94.08 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.796 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.0 m -74.73 -25.4 59.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.893 0.347 . . . . 0.0 111.891 -176.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 m -87.72 -16.71 33.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.317 0.58 . . . . 0.0 110.474 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -89.68 103.8 16.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.029 0.442 . . . . 0.0 110.836 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -118.7 -57.29 2.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.408 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 43.3 m80 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.087 179.557 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.665 0 CA-C-O 120.53 0.205 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -84.08 2.22 40.34 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.4 mtm -75.67 -37.4 59.62 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.24 47.94 3.83 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.037 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt 65.14 111.88 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.825 0.85 . . . . 0.0 112.92 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.474 ' HA ' ' OD2' ' A' ' 12' ' ' ASP . 5.0 p -77.64 98.64 5.5 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.852 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -168.8 -40.68 0.02 OUTLIER 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.752 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.92 -56.17 7.75 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 12' ' ' ASP . 45.5 mm -73.48 120.07 21.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.177 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.0 m -54.07 -43.89 70.66 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -69.45 -37.72 77.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.659 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.474 ' OD2' ' HA ' ' A' ' 6' ' ' SER . 33.3 t70 -67.28 -39.35 86.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.573 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.2 tp -70.17 -34.46 73.03 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.887 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -64.08 -35.25 80.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -74.56 -34.34 62.92 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.269 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HD2' ' O ' ' A' ' 6' ' ' SER . 40.3 tttp -60.09 -50.64 72.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.317 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.8 tt -62.47 -27.07 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 120.963 0.411 . . . . 0.0 110.75 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -81.21 -39.61 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.244 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.43 -48.57 77.23 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.198 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.39 -18.72 65.24 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.584 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -41.51 71.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.763 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -77.45 -12.43 59.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.384 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.7 m -76.07 -29.19 57.89 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.199 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.33 -60.1 4.85 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.117 -0.563 . . . . 0.0 113.008 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 p -76.46 2.1 14.64 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.404 ' O ' HG12 ' A' ' 30' ' ' ILE . 15.9 m -110.58 11.68 22.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.638 0.256 . . . . 0.0 111.282 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.36 -51.26 46.36 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.456 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.73 71.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.067 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.06 -63.09 1.19 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.632 0.253 . . . . 0.0 110.606 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 26' ' ' SER . 11.8 pt -62.16 -36.01 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.923 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 34.2 t -62.33 -42.96 99.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.558 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -92.1 -43.15 9.54 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.578 -0.449 . . . . 0.0 112.095 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -60.76 -56.43 21.34 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 111.166 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -77.95 -28.79 49.63 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 31' ' ' SER . 35.6 ttpt 57.21 34.02 24.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.013 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -72.27 130.68 85.87 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.258 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -50.51 130.26 29.07 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.712 2.275 . . . . 0.0 111.34 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -59.61 -23.37 62.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 m -69.67 -39.09 77.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.944 0.402 . . . . 0.0 109.956 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 t -70.82 -35.72 72.62 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 44' ' ' ILE . 62.5 t -67.58 -43.2 87.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.999 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -60.19 -42.47 95.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.78 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.403 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 12.7 t -70.96 -31.91 68.61 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.956 -177.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 41' ' ' VAL . 2.6 pp -79.54 -33.3 15.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.223 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.16 -30.41 27.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.434 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -61.77 -44.94 95.9 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.047 0.451 . . . . 0.0 109.869 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 43' ' ' THR . 95.1 mttt -65.42 -38.57 90.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.208 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -66.4 -44.16 83.77 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.835 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -61.54 -34.6 75.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.645 0.259 . . . . 0.0 110.72 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -65.37 -41.2 94.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -66.69 -30.03 70.18 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' HA2' ' H ' ' A' ' 57' ' ' HIS . . . -72.83 -9.36 75.09 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.709 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.2 m -96.17 -35.91 11.14 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 121.249 0.547 . . . . 0.0 109.69 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.6 p -84.36 -68.97 0.68 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.374 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -82.77 -30.38 28.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.565 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 52' ' ' GLY . 27.1 t60 69.72 82.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.576 177.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.469 ' H ' ' HA2' ' A' ' 52' ' ' GLY . 76.1 t60 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.34 -0.838 . . . . 0.0 112.38 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 111.467 0.173 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p 57.08 175.14 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.023 0.929 . . . . 0.0 112.64 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.0 mtt -80.28 107.92 13.47 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.236 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.66 -44.74 88.95 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.53 -0.843 . . . . 0.0 111.251 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm 177.95 -55.95 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.674 0.39 . . . . 0.0 110.242 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 t 70.67 -72.77 0.11 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.739 0.649 . . . . 0.0 109.845 -177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -166.07 99.54 0.64 Allowed 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -78.59 -9.98 59.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.896 0.379 . . . . 0.0 111.417 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.3 mm -83.82 58.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.354 0.597 . . . . 0.0 110.056 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.7 p -101.25 -72.84 0.67 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.604 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -74.08 -17.93 60.89 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.329 0.585 . . . . 0.0 109.744 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 22.6 t70 -58.31 -33.98 70.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.144 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.75 -38.34 86.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.196 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -67.31 -44.73 78.48 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.388 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -73.19 -28.65 62.32 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.679 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 7.1 tptp -68.55 -48.38 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 -178.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.576 ' O ' ' HB2' ' A' ' 21' ' ' HIS . 10.0 tp -61.58 -29.92 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.8 t -80.93 -45.48 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.873 178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.2 -55.59 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.806 -178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.92 -23.09 65.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.914 0.387 . . . . 0.0 111.244 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.576 ' HB2' ' O ' ' A' ' 17' ' ' ILE . 65.2 t60 -61.04 -41.25 96.23 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.422 0.629 . . . . 0.0 110.049 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HE3' ' OH ' ' A' ' 48' ' ' TYR . 4.7 mtpm? -90.11 -5.79 56.14 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.531 -175.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -80.38 -19.74 45.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.181 0.515 . . . . 0.0 109.849 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.24 -73.08 2.7 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 113.304 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p -65.23 -21.71 66.78 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.936 0.398 . . . . 0.0 111.712 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.5 m -84.53 5.44 27.61 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.539 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -46.51 83.58 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.16 -17.1 71.67 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.127 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.6 ' O ' ' HG2' ' A' ' 33' ' ' ARG . . . -76.41 -53.47 8.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.669 0.271 . . . . 0.0 110.634 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.535 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 7.5 pt -61.68 -39.49 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.437 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.8 t -63.41 -30.95 72.0 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.204 0.526 . . . . 0.0 110.358 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -80.05 -60.5 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.894 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.2 ptm180 -76.86 -39.72 50.12 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 4.4 mm? -80.54 -36.33 33.24 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.882 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.3 tttp 59.21 46.21 13.25 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.525 0.678 . . . . 0.0 109.818 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 34' ' ' LEU . 10.9 m -94.03 136.63 23.5 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.535 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 36' ' ' VAL . 29.7 Cg_exo -62.87 149.83 90.24 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.482 2.121 . . . . 0.0 111.281 177.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -61.09 -34.59 75.18 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.502 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -59.48 -38.5 81.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.666 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.5 m -68.0 -42.35 80.85 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 109.924 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.98 -48.34 88.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.406 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.47 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 17.1 mm-40 -60.75 -29.97 69.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.063 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.8 m -74.79 -43.02 56.96 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.426 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 pp -75.59 -30.52 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 30.3 m -68.92 -39.15 79.5 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.186 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 99.6 mtt180 -64.16 -38.07 89.74 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.585 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.01 -43.3 88.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.302 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.422 ' OH ' ' HE3' ' A' ' 22' ' ' LYS . 73.6 t80 -68.27 -43.36 77.96 Favored 'General case' 0 N--CA 1.422 -1.835 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.547 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 33.2 mmmt -59.77 -43.74 94.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.748 0.308 . . . . 0.0 110.717 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -71.27 -30.18 65.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.19 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.403 ' HA ' ' OG1' ' A' ' 54' ' ' THR . 26.9 t-80 -74.54 -29.52 61.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.24 -31.13 79.6 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.6 p -86.58 -39.92 15.69 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.749 0.309 . . . . 0.0 111.162 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 51' ' ' HIS . 21.8 p -67.4 -40.56 85.62 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.028 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -82.93 100.61 10.51 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -138.6 119.83 14.67 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.768 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 . . . . . 0 C--N 1.316 -0.881 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.72 179.392 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.695 0 CA-C-O 120.74 0.305 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -114.46 -71.77 0.73 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.46 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.8 ttt -90.49 -22.38 21.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.789 0.328 . . . . 0.0 111.413 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.48 25.01 2.07 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.59 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -78.38 106.56 10.39 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m 64.41 70.22 0.5 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.545 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -111.98 92.31 3.98 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.608 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -80.46 111.55 16.97 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.643 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.3 pt -68.72 -21.0 25.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.8 m -66.48 -25.79 66.88 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.86 -48.9 70.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' OD2' ' HE2' ' A' ' 16' ' ' LYS . 27.5 t70 -67.34 -41.38 85.31 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.987 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.578 ' O ' HG12 ' A' ' 17' ' ' ILE . 59.6 tp -56.16 -52.19 65.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.162 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -58.96 -40.26 84.2 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 178.584 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -60.17 -36.62 77.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.245 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HE2' ' OD2' ' A' ' 12' ' ' ASP . 67.3 mttm -77.64 -42.44 34.83 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.258 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 13' ' ' LEU . 33.3 mm -50.8 -50.6 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 48' ' ' TYR . 52.8 t -61.34 -47.69 92.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.09 -47.25 87.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.235 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.86 -34.0 77.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.583 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -66.76 -35.56 80.38 Favored 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.603 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.76 -20.06 60.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.002 0.429 . . . . 0.0 110.179 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.0 m -79.08 -21.94 45.99 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.672 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.82 -89.16 1.06 Allowed Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.161 -0.542 . . . . 0.0 113.554 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.1 m -63.06 -42.66 99.74 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -59.8 -22.04 61.66 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.704 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.76 -35.66 81.32 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.366 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.8 -34.33 89.64 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.242 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -62.65 -50.67 70.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.462 0.172 . . . . 0.0 111.38 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.2 pt -69.25 -30.4 45.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.293 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 t -64.88 -37.62 88.23 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -73.79 -36.02 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.643 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 97.0 mtt180 -74.01 -49.96 21.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.006 -178.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.2 mt -82.58 -31.19 29.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.758 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 58.8 31.93 21.72 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.638 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -67.82 127.21 93.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -47.01 129.09 14.58 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.046 2.498 . . . . 0.0 112.313 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -56.68 -35.1 68.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.341 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 m -63.53 -37.46 87.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.964 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -73.49 -36.84 65.83 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.226 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.18 -39.32 84.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.132 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.454 ' HA ' HG22 ' A' ' 45' ' ' VAL . 29.8 tt0 -58.68 -36.01 73.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.673 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.0 m -66.15 -43.39 87.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.433 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.7 mm -65.25 -50.38 73.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.252 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.719 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 34.3 m -60.73 -42.01 90.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.017 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -70.49 -31.07 68.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.766 0.317 . . . . 0.0 110.835 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.36 -39.83 77.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.231 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.719 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 2.2 p90 -75.97 -21.77 56.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.492 178.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 68.2 mttm -70.54 -37.19 74.04 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.56 -34.67 72.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 176.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.453 ' HA ' ' HB2' ' A' ' 55' ' ' GLN . 55.0 t-80 -59.83 -40.75 89.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.7 -11.05 83.33 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.339 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.0 m -69.17 -72.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.4 m -137.78 -1.78 1.99 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 118.365 -1.334 . . . . 0.0 112.319 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.453 ' HB2' ' HA ' ' A' ' 51' ' ' HIS . 21.0 mp0 -84.83 80.83 9.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.875 0.369 . . . . 0.0 111.044 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 60.99 64.81 1.08 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.931 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 29.0 t60 . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.026 -179.34 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.637 0.256 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -82.07 -46.09 14.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.983 0.421 . . . . 0.0 110.968 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.9 mtp -95.96 2.85 53.76 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.209 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.53 160.51 30.03 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.291 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -84.55 98.98 10.44 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.008 0.433 . . . . 0.0 110.661 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -165.02 113.36 1.03 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.513 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -90.11 -26.97 19.94 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.343 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -150.98 117.86 5.85 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.3 tt -86.46 138.94 18.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 m -88.84 100.48 13.2 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -173.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -95.32 -65.17 0.99 Allowed 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 172.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.91 -46.12 89.31 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.194 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.3 -31.98 70.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -69.77 -31.66 69.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.147 0.498 . . . . 0.0 110.47 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -80.15 -32.69 38.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.039 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -64.8 -49.21 71.55 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.811 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.8 tp -58.69 -30.88 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.933 0.397 . . . . 0.0 110.616 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.84 -52.08 18.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.29 -37.36 86.95 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.553 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.9 mt -77.65 -13.33 59.93 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.362 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.53 -15.89 44.26 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.331 0.586 . . . . 0.0 109.592 175.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -75.31 -41.94 55.7 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.9 p -77.62 -42.35 35.26 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.845 176.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.59 -30.3 2.54 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.758 -0.655 . . . . 0.0 113.808 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 p -72.0 -11.94 61.0 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.477 ' O ' HG12 ' A' ' 30' ' ' ILE . 9.7 m -102.27 2.02 36.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.677 0.275 . . . . 0.0 111.221 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.45 -56.14 25.0 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.588 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.37 -24.85 71.0 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 121.224 -0.512 . . . . 0.0 113.128 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.14 -55.68 7.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.767 0.317 . . . . 0.0 111.25 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 26' ' ' SER . 21.5 pt -67.71 -38.45 80.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 p -65.17 -28.64 69.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.0 0.429 . . . . 0.0 110.672 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 32' ' ' LYS . 5.1 ttmp? -83.76 -48.75 9.77 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.736 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -62.17 -49.04 77.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -88.94 -7.82 55.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.339 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 56.43 61.3 2.74 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.224 0.535 . . . . 0.0 110.128 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -80.6 128.51 71.95 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.276 -178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.33 120.32 8.16 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.462 2.108 . . . . 0.0 111.504 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -55.21 -33.13 62.8 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.1 m -78.56 -40.48 34.69 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.069 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 m -71.09 -33.09 69.84 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.796 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.55 -28.19 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.183 0.516 . . . . 0.0 109.906 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.462 ' HA ' HG22 ' A' ' 45' ' ' VAL . 9.2 tt0 -76.44 -27.35 56.17 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.259 0.552 . . . . 0.0 109.582 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.5 m -67.42 -46.66 72.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.82 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.45 81.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 42' ' ' GLN . 28.6 m -72.05 -24.65 22.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.538 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -69.97 -47.94 60.27 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.507 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.28 -29.55 67.46 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.927 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -62.88 -39.78 95.51 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.95 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -66.28 -45.25 81.09 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.222 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -64.11 -34.37 77.89 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.517 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -69.07 -24.02 64.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 110.168 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.67 -13.24 76.09 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.1 m -74.43 -60.49 2.25 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -140.84 -61.6 0.49 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 118.966 -1.094 . . . . 0.0 111.719 173.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 66.16 77.44 0.29 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.252 0.621 . . . . 0.0 111.819 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 52.62 74.02 0.31 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.815 176.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.976 177.356 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . . . . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.552 0.215 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -91.93 -55.64 3.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.034 0.445 . . . . 0.0 111.074 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.34 -55.17 3.14 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.6 -177.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.18 67.67 1.77 Allowed Glycine 0 C--N 1.333 0.402 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.677 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 1' ' ' ALA . 29.4 tptp -174.8 -33.0 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 m 73.39 155.34 0.16 Allowed 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.261 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -133.33 149.91 51.87 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -96.23 164.12 12.8 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.707 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 mm -87.61 136.46 23.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.444 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -85.03 143.56 28.82 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.474 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -69.52 -19.68 63.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.39 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -52.16 -43.2 63.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.555 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.86 -45.15 79.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.381 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 18' ' ' VAL . 58.9 ttp180 -64.08 -40.17 95.67 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.749 -178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -71.31 -36.66 71.7 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.648 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -60.95 -52.23 65.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.192 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tp -59.68 -39.71 80.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.893 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 14' ' ' ARG . 96.4 t -64.46 -50.3 76.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 120.674 0.273 . . . . 0.0 110.919 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.496 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 9.5 m-20 -61.58 -38.14 86.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HG ' HD11 ' A' ' 30' ' ' ILE . 4.1 mm? -70.91 -28.14 64.3 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.514 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -68.33 -43.5 77.41 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.026 0.441 . . . . 0.0 109.963 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' A' ' 19' ' ' ASP . 44.6 mtpt -59.3 -44.48 92.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.043 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.8 m -72.51 -39.97 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.335 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.98 63.04 4.05 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.999 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -145.33 -74.37 0.23 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.1 m -77.64 36.48 0.21 Allowed 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -174.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.52 -38.1 77.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.078 0.466 . . . . 0.0 110.062 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.17 -33.27 86.8 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.548 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.09 82.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.959 0.409 . . . . 0.0 110.104 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.414 HD11 ' HG ' ' A' ' 20' ' ' LEU . 57.4 mt -60.41 -33.58 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.416 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 42.9 m -59.84 -35.52 74.91 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.565 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -95.14 -34.68 12.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.496 -0.482 . . . . 0.0 112.181 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -80.04 -30.3 39.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -119.06 -2.64 10.74 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 31' ' ' SER . 25.5 pttm 43.51 36.18 1.12 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.452 0.701 . . . . 0.0 112.006 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -72.77 124.36 90.66 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.564 -177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -81.78 159.35 18.81 Favored 'Trans proline' 0 N--CA 1.449 -1.143 0 C-N-CA 122.428 2.085 . . . . 0.0 111.383 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -59.63 -25.28 64.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.971 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -55.3 -42.25 73.43 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.113 0.482 . . . . 0.0 110.156 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 m -81.93 -28.93 32.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.968 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.3 t -70.84 -57.69 7.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HA ' HG22 ' A' ' 45' ' ' VAL . 6.4 mp0 -59.29 -34.02 71.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.7 p -74.82 -29.0 60.93 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.663 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -39.09 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.957 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.685 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 31.2 m -65.5 -35.85 76.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-O 120.771 0.32 . . . . 0.0 111.2 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -72.19 -29.89 64.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.669 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -69.63 -57.02 5.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.358 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.685 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 19.4 p90 -66.86 -34.15 77.18 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -71.91 -31.85 66.8 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.528 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.463 ' O ' HG22 ' A' ' 54' ' ' THR . 10.4 t60 -74.48 -46.0 42.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.075 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -57.32 -50.43 72.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.477 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.26 -30.54 76.92 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.77 -0.728 . . . . 0.0 114.179 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.5 t -88.25 -21.3 24.56 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 50' ' ' HIS . 11.3 t -109.26 -28.35 9.05 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 119.393 -0.923 . . . . 0.0 113.079 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -72.56 -27.99 62.55 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.649 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -146.62 145.04 29.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.801 0.334 . . . . 0.0 110.96 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 . . . . . 0 C--N 1.318 -0.772 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.061 -179.001 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 120.729 0.299 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -95.23 -57.82 2.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.8 ttt -119.5 128.63 54.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.24 33.57 5.12 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -73.93 173.88 9.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -76.61 -44.05 35.95 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 tttm 67.97 -74.33 0.07 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.639 0.776 . . . . 0.0 111.497 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -127.51 -165.22 1.45 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.1 mt -82.59 96.44 3.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.3 p -64.04 167.09 6.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.433 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 22.1 mt-30 -66.31 -29.56 69.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 177.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -65.92 -43.74 87.22 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.775 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.6 tp -71.77 -33.27 68.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.369 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -60.42 -41.34 93.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 11' ' ' GLN . 52.4 mtmt -67.54 -23.75 65.47 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' O ' HD23 ' A' ' 20' ' ' LEU . 1.2 tmtp? -65.84 -44.38 85.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.39 -47.35 92.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.223 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.21 -56.26 18.23 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.051 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.55 -42.88 95.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.5 HD12 ' CB ' ' A' ' 26' ' ' SER . 4.5 mm? -69.61 -21.65 63.56 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.6 -32.76 74.55 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 174.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -16.02 56.54 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.505 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -78.25 -41.18 34.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.649 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.4 -70.64 1.92 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.917 -0.659 . . . . 0.0 114.068 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.9 t -64.59 -24.43 67.59 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.5 ' CB ' HD12 ' A' ' 20' ' ' LEU . 20.2 m -82.03 4.26 23.57 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.96 -29.43 69.29 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.042 0.449 . . . . 0.0 110.74 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.49 -27.25 72.89 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.961 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.18 -40.77 67.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.001 0.429 . . . . 0.0 109.96 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.5 mt -64.66 -41.46 92.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.631 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.519 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 5.2 p -71.93 -32.23 67.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.032 -178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 32' ' ' LYS . 1.4 tmtp? -79.84 -48.45 13.5 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -81.88 -49.34 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.0 tp -94.37 -8.8 37.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.639 0.257 . . . . 0.0 111.296 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 31' ' ' SER . 73.2 mmtt 71.84 -5.75 1.62 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.417 0.687 . . . . 0.0 111.431 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 36' ' ' VAL . 11.9 p 42.4 96.38 0.04 OUTLIER Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.209 1.404 . . . . 0.0 114.014 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HB2' ' HB2' ' A' ' 40' ' ' SER . 26.1 Cg_exo -63.83 92.8 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.499 2.132 . . . . 0.0 110.641 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -50.76 -52.16 43.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -173.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -63.92 -41.39 97.67 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.091 0.472 . . . . 0.0 111.657 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' HG12 ' A' ' 44' ' ' ILE . 19.7 m -74.49 -40.75 61.64 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.524 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.52 -37.27 79.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.926 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' HA ' HG22 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -59.63 -39.23 83.61 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.649 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 m -68.41 -31.4 70.71 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.459 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 40' ' ' SER . 46.1 mm -73.76 -49.19 36.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.641 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 30.2 m -61.1 -37.63 77.81 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.114 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -70.21 -19.65 63.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.195 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -89.33 -55.57 3.61 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.641 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 16.6 p90 -68.15 -26.13 65.61 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.08 -0.648 . . . . 0.0 111.96 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -76.8 -39.74 50.46 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.121 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -70.98 -39.54 72.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.562 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -77.51 -37.57 50.77 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.687 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.55 -16.13 75.69 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 113.69 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 p -93.45 3.07 56.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 117.187 0.493 . . . . 0.0 111.499 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.8 m -129.24 -37.73 1.64 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.29 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -124.93 -171.63 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.107 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -81.3 168.45 18.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.87 0.366 . . . . 0.0 110.789 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 . . . . . 0 C--N 1.316 -0.872 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.796 176.574 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 p 52.53 93.21 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.827 0.851 . . . . 0.0 112.432 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.3 ptp -69.47 -18.34 63.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.84 -130.31 22.41 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.038 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.8 tttt 179.91 -52.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -164.69 98.77 0.78 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.436 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 9' ' ' ILE . 55.9 pttt -136.97 138.9 41.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.771 0.319 . . . . 0.0 111.757 -176.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.472 ' HB3' ' H ' ' A' ' 9' ' ' ILE . 0.6 OUTLIER 65.69 -91.95 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.254 179.288 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.472 ' H ' ' HB3' ' A' ' 8' ' ' GLU . 9.4 mt 49.88 50.89 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 123.824 0.85 . . . . 0.0 112.981 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.4 m -100.17 125.8 46.35 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -55.94 -49.34 73.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.014 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -64.51 -39.88 94.6 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.181 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.78 -44.0 78.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.096 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -64.48 -40.96 96.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.368 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.78 -29.16 67.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.144 0.497 . . . . 0.0 110.107 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.628 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.6 tppt? -70.92 -56.14 6.89 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.744 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 tt -60.39 -39.49 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.2 m -65.43 -35.18 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 121.111 0.481 . . . . 0.0 110.84 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -74.42 -37.88 63.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.787 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 66.7 mt -68.13 -29.25 68.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.595 178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -60.71 -37.06 80.41 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.095 0.474 . . . . 0.0 110.071 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -77.23 -26.09 52.27 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.0 m -73.25 -51.09 18.94 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.91 -81.5 0.29 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.848 -0.692 . . . . 0.0 113.618 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.6 t -59.47 -32.55 70.35 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -176.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.1 p -63.38 -23.85 67.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.9 -40.95 87.85 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.92 -28.95 74.0 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.444 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.32 -52.02 45.48 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 120.532 0.206 . . . . 0.0 110.469 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.463 HD13 HD12 ' A' ' 20' ' ' LEU . 34.2 pt -69.07 -28.51 39.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.512 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 32.5 t -63.11 -44.4 95.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.08 0.467 . . . . 0.0 109.987 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 32' ' ' LYS . 35.8 ttpt -75.05 -32.19 61.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.426 178.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -77.43 -63.51 1.36 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.931 -176.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 pp -109.91 -3.5 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -173.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' SER . 36.7 ttmt 65.98 96.49 0.05 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.737 0.648 . . . . 0.0 111.279 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 17.3 m -71.35 112.99 15.73 Favored Pre-proline 0 C--N 1.313 -0.987 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 177.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 36' ' ' VAL . 9.3 Cg_exo -71.45 125.47 11.28 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.292 1.995 . . . . 0.0 111.267 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.426 ' HA ' HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -58.35 -42.73 87.56 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.701 -178.32 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.4 t -62.63 -34.69 77.55 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 m -80.93 -45.33 16.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.727 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 38' ' ' ARG . 7.8 p -64.79 -42.11 94.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.698 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' HA ' HG22 ' A' ' 45' ' ' VAL . 25.1 mt-30 -71.15 -26.36 62.96 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.2 p -79.29 -38.66 34.82 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.944 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 pp -74.31 -34.37 36.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.423 ' HA ' ' CD2' ' A' ' 48' ' ' TYR . 30.1 m -65.98 -34.12 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.853 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -80.03 -34.14 38.59 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.301 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -69.55 -47.59 63.19 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.542 -177.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' A' ' 45' ' ' VAL . 2.8 p90 -67.57 -28.71 68.0 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.622 -179.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -70.47 -41.26 72.99 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.942 0.401 . . . . 0.0 109.991 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -68.17 -27.99 66.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.951 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -81.73 -10.35 59.39 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.855 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.03 -31.3 61.43 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 116.415 -0.357 . . . . 0.0 112.621 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 t -68.87 -26.59 65.2 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 120.839 0.352 . . . . 0.0 111.288 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 p -116.77 13.0 15.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.327 0.584 . . . . 0.0 110.605 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -75.34 123.17 24.89 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.889 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -108.98 160.87 15.67 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.401 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 . . . . . 0 C--N 1.311 -1.069 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.51 178.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 120.681 0.277 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -93.18 129.67 39.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.578 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptm -74.4 -13.7 60.76 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.971 0.415 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.2 -162.28 17.12 Favored Glycine 0 N--CA 1.439 -1.141 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.367 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -125.67 163.86 21.88 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 116.796 0.298 . . . . 0.0 110.388 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -67.29 -41.22 85.77 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -126.52 140.53 52.38 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.01 178.28 7.09 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.425 0.631 . . . . 0.0 112.49 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.1 tt -145.41 77.04 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-O 122.049 0.928 . . . . 0.0 109.128 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.6 m -78.91 21.89 0.4 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.064 -177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -59.58 -47.19 86.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.861 0.362 . . . . 0.0 110.825 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.82 -39.6 92.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.604 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.57 -43.33 73.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.509 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -66.41 -38.14 86.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.705 0.288 . . . . 0.0 111.498 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -70.28 -26.83 63.98 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.89 177.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -76.43 -44.37 36.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.417 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.3 tp -60.25 -38.07 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.885 0.374 . . . . 0.0 110.714 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.6 -37.98 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.143 0.497 . . . . 0.0 109.793 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.13 -44.38 97.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.613 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.32 -25.51 65.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.177 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -70.63 -25.85 63.21 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.891 0.377 . . . . 0.0 110.286 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.66 -14.78 57.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.347 0.594 . . . . 0.0 109.518 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.1 t -83.68 -47.32 11.35 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 27' ' ' LEU . . . 82.4 -69.12 3.4 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.804 -0.635 . . . . 0.0 113.798 175.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 m -70.32 -14.83 62.75 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.6 t -98.59 9.15 43.89 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-O 121.033 0.444 . . . . 0.0 110.695 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -68.28 -38.5 81.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.527 -178.752 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.5 96.65 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.405 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.56 -55.86 24.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.75 0.31 . . . . 0.0 111.214 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 pt -68.93 -31.61 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.726 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 52.6 m -64.42 -38.59 91.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.756 0.312 . . . . 0.0 111.143 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.07 -42.59 17.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.731 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -63.86 -60.04 3.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.269 -177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.14 -11.25 55.54 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.856 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' SER . 85.4 tttt 57.77 76.33 0.33 Allowed 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.85 0.719 . . . . 0.0 110.39 -177.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.3 t -107.34 107.91 61.07 Favored Pre-proline 0 C--N 1.313 -0.99 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.187 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.4 140.22 93.3 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.67 2.246 . . . . 0.0 111.264 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -61.26 -27.06 68.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.61 -178.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -62.53 -37.81 87.53 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.197 0.523 . . . . 0.0 109.742 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.1 t -73.56 -37.45 65.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 45' ' ' VAL . 93.0 t -59.37 -48.65 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.171 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.403 ' HA ' HG22 ' A' ' 45' ' ' VAL . 6.9 tt0 -55.88 -37.84 69.36 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.622 178.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.6 m -62.63 -44.29 96.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.442 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 pp -81.88 -37.15 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.73 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 31.4 m -65.76 -40.16 86.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.91 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.451 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 79.5 ttt180 -67.53 -36.75 81.6 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.043 0.449 . . . . 0.0 110.58 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -67.7 -49.8 60.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.61 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.73 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 3.1 p90 -73.83 -31.96 63.47 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 119.92 -0.712 . . . . 0.0 112.066 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 46' ' ' ARG . 19.5 pttp -71.87 -24.78 61.73 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.995 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -75.03 -42.02 58.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.941 0.401 . . . . 0.0 110.744 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -81.21 -38.41 27.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.066 0.46 . . . . 0.0 110.336 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.31 21.32 7.28 Favored Glycine 0 N--CA 1.44 -1.059 0 CA-C-N 115.864 -0.607 . . . . 0.0 113.762 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.3 m -74.15 -62.71 1.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.73 13.86 4.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.306 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 75.25 -56.28 0.62 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.848 0.859 . . . . 0.0 109.978 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -110.55 79.93 1.26 Allowed 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 175.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.8 t60 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.454 -0.784 . . . . 0.0 111.113 -178.56 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 120.518 0.199 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -81.69 -34.92 30.38 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.802 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.4 mmt 69.95 -63.66 0.38 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.642 0.777 . . . . 0.0 111.993 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.89 168.86 28.44 Favored Glycine 0 N--CA 1.436 -1.358 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -113.88 116.88 30.0 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 120.549 0.214 . . . . 0.0 110.672 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t 67.38 13.15 9.26 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.347 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -96.23 -50.07 4.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.748 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -91.46 -65.39 1.01 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.814 0.34 . . . . 0.0 110.58 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.8 mt -104.8 92.38 2.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.037 0.446 . . . . 0.0 110.415 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 p -95.54 165.94 12.09 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.062 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -60.97 -40.38 93.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.28 -53.25 46.83 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.314 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.55 -46.35 84.01 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.193 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 18' ' ' VAL . 43.5 ttp180 -61.43 -37.74 84.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 111.239 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -72.35 -48.44 41.83 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.178 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.632 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.7 mmtp -66.29 -41.21 90.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.977 -177.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.17 -35.27 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 120.744 0.307 . . . . 0.0 110.87 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 14' ' ' ARG . 94.1 t -65.07 -49.42 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 120.857 0.36 . . . . 0.0 110.111 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.52 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 22.0 m-20 -66.2 -32.57 74.08 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.614 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 90.9 mt -67.62 -34.34 76.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.835 0.35 . . . . 0.0 110.327 177.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -73.56 -26.63 60.93 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.007 0.432 . . . . 0.0 110.42 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' A' ' 19' ' ' ASP . 45.6 mtpt -77.47 -5.61 50.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.022 177.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 m -106.89 -38.94 5.92 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.644 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.22 -62.51 4.62 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 116.057 -0.519 . . . . 0.0 113.349 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.1 p -69.6 -6.23 29.76 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -85.45 -8.85 58.16 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.816 0.341 . . . . 0.0 111.195 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.87 -37.15 81.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 32' ' ' LYS . . . -57.3 -45.23 93.0 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.87 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.552 ' O ' ' HG2' ' A' ' 33' ' ' ARG . . . -60.47 -57.15 13.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.689 0.28 . . . . 0.0 111.485 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.8 pt -63.8 -30.04 48.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -67.39 -40.07 85.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.776 0.322 . . . . 0.0 111.039 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' GLY . 14.2 ptmm? -84.22 -32.18 24.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.1 ptm180 -91.05 -49.67 6.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.447 -178.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.529 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 53.0 tp -96.41 -20.56 18.35 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -174.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HD2' ' C ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 39.23 63.25 0.98 Allowed 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 121.819 0.818 . . . . 0.0 112.128 -177.138 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.8 p -71.27 133.6 85.36 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.84 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.7 125.76 20.14 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.88 2.387 . . . . 0.0 112.112 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 2.6 ptp180 -60.5 -28.55 68.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.635 -178.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 p -60.07 -35.76 75.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.027 0.442 . . . . 0.0 110.578 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.502 ' O ' HG12 ' A' ' 44' ' ' ILE . 32.1 t -80.95 -35.13 32.66 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.962 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.5 t -62.94 -52.67 56.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.261 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 38' ' ' ARG . 12.9 mm100 -66.06 -30.93 71.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.395 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.0 t -76.31 -26.27 55.67 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.95 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 40' ' ' SER . 38.1 mm -79.06 -40.55 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.954 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.614 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 35.1 m -60.27 -40.54 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -77.24 -21.68 53.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.149 0.5 . . . . 0.0 110.612 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -82.65 -47.48 12.0 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.594 -177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.614 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 2.9 p90 -64.92 -32.03 73.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.295 -177.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.439 ' O ' HG22 ' A' ' 53' ' ' THR . 19.2 ptpt -67.11 -39.08 86.61 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.439 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -68.56 -35.85 77.97 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.229 0.538 . . . . 0.0 110.09 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -73.12 -19.62 61.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.295 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.472 ' HA2' ' CE1' ' A' ' 57' ' ' HIS . . . -94.45 -37.94 5.18 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.412 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 49' ' ' LYS . 11.7 t -92.17 -28.8 16.84 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -176.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 m -106.9 -55.45 2.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.923 0.392 . . . . 0.0 111.908 -177.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -75.73 122.8 24.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.508 -176.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -74.61 114.04 12.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.472 ' CE1' ' HA2' ' A' ' 52' ' ' GLY . 27.1 p-80 . . . . . 0 C--N 1.308 -1.202 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.036 -176.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 120.345 0.117 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p 53.29 -90.2 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.747 1.219 . . . . 0.0 113.168 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.9 mtp -92.54 -24.68 18.67 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.22 97.98 1.11 Allowed Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.472 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.55 140.17 47.02 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 p -127.1 23.29 6.53 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.308 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 64.46 18.32 11.29 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.934 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 70.89 -52.33 0.68 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.596 0.759 . . . . 0.0 111.653 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 pt -76.24 79.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.618 0.723 . . . . 0.0 110.982 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -92.92 41.09 1.07 Allowed 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.277 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -52.65 -54.9 27.01 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.533 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.605 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 24.4 t70 -64.03 -47.59 79.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.773 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -55.85 -47.83 76.59 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.358 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -59.55 -48.76 80.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.945 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -60.38 -32.85 71.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.572 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 33.0 mmtp -74.07 -55.72 5.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.221 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 tp -60.99 -42.09 91.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.91 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.49 -43.53 90.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.824 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.11 -48.28 82.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.4 -25.02 66.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.048 -0.523 . . . . 0.0 112.26 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -67.73 -27.97 67.24 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.49 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -11.86 43.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.972 0.415 . . . . 0.0 110.521 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 m -82.75 -49.44 9.74 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.95 -51.33 4.31 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 114.726 0.65 . . . . 0.0 114.726 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.1 t -56.58 -42.94 79.51 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.1 m -96.17 21.37 8.98 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.1 tm? -68.16 -46.52 70.53 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.19 -35.59 92.29 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.68 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.17 64.44 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.617 0.246 . . . . 0.0 111.299 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.8 pt -70.53 -34.57 57.99 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 p -65.15 -32.71 74.54 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.031 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -83.48 -39.53 20.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.459 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -63.54 -43.92 95.73 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.322 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.2 tp -82.77 -25.05 33.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.124 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt 57.65 65.38 1.34 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.678 0.752 . . . . 0.0 109.968 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.1 p -114.62 122.95 33.0 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.788 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -58.6 145.72 94.11 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.633 2.222 . . . . 0.0 112.141 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -53.94 -41.61 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.359 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -62.02 -30.19 70.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.469 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.436 ' O ' HG12 ' A' ' 44' ' ' ILE . 36.2 t -81.09 -28.27 35.31 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.907 0.384 . . . . 0.0 110.307 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.54 -43.08 83.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.469 ' HA ' HG22 ' A' ' 45' ' ' VAL . 55.1 tp60 -59.57 -40.29 86.86 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.431 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 p -67.75 -24.72 65.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.783 0.325 . . . . 0.0 111.719 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 40' ' ' SER . 48.1 mm -85.58 -45.48 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.81 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.662 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 29.1 m -64.55 -39.14 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.558 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -71.77 -26.44 62.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.152 0.501 . . . . 0.0 110.241 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -67.91 -46.16 72.38 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.334 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.662 ' CE2' ' HA ' ' A' ' 45' ' ' VAL . 8.6 p90 -76.24 -11.97 60.01 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.722 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 72.7 mmtt -66.85 -48.33 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.195 0.521 . . . . 0.0 109.754 175.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -77.04 -47.47 20.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.313 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -65.19 -37.34 87.02 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.877 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.19 -9.11 63.22 Favored Glycine 0 C--N 1.313 -0.723 0 C-N-CA 120.396 -0.907 . . . . 0.0 112.728 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 m -116.18 -39.84 3.36 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 m -101.8 -20.12 15.05 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -174.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -61.9 -50.42 72.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.203 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -87.22 -37.85 16.88 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 . . . . . 0 C--O 1.247 0.946 0 O-C-N 123.857 0.723 . . . . 0.0 110.861 179.086 . . . . . . . . 0 0 . 1 stop_ save_