data_2krx_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 2krx _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.552 ' HA ' ' OG1' ' A' ' 26' ' ' THR . 23.5 mt-30 . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 120.886 0.374 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.5 t70 -113.38 -160.06 0.71 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -105.98 116.2 31.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.245 0.545 . . . . 0.0 110.145 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.442 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 30.4 m-85 -104.44 127.2 52.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.687 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -86.59 100.12 9.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.533 ' HB ' HD21 ' A' ' 24' ' ' LEU . 86.0 t -94.07 123.62 46.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.827 -175.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.519 ' HB2' ' HG3' ' A' ' 78' ' ' GLN . 67.0 mt -101.28 102.27 13.11 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.108 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.323 -0.554 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 176.797 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 C--O 1.234 0.288 0 CA-C-O 121.105 0.479 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.533 HD21 ' HB ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -140.87 157.66 45.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.483 176.814 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 42.4 p -81.42 172.85 13.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.698 -176.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.552 ' OG1' ' HA ' ' A' ' 9' ' ' GLN . 2.0 m -54.88 -38.55 67.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.852 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.24 -40.73 78.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 0.0 110.747 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 36.9 mt-10 -66.35 -39.65 89.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.141 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.53 -44.15 95.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.216 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.558 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -54.97 -49.33 71.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.587 177.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.19 -39.77 76.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.99 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -68.2 -46.11 71.52 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.432 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.04 -52.46 62.72 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.862 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 9.8 ptmm? -60.61 -24.08 65.22 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.914 -0.491 . . . . 0.0 111.489 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -75.45 -49.09 9.59 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.29 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.463 ' OE1' HG11 ' A' ' 71' ' ' VAL . 2.7 pp20? -72.5 -36.01 68.28 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.04 -0.682 . . . . 0.0 110.445 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 tp -65.64 -36.31 83.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 9.6 pt-20 -69.3 -29.61 67.51 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.254 -0.579 . . . . 0.0 109.787 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 67.0 mttm -71.6 -40.48 69.83 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.524 173.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 71' ' ' VAL . 1.4 mp -59.16 134.96 24.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.146 175.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.6 t -58.09 135.48 57.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 50' ' ' GLN . 32.1 t80 -68.4 -17.7 64.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.916 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.9 m -94.74 5.75 50.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.357 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -115.63 -26.43 7.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.031 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 49' ' ' LEU . 2.4 pp -78.54 160.9 71.48 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.475 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.499 ' HD2' HD12 ' A' ' 49' ' ' LEU . 72.3 Cg_exo -51.8 156.68 6.48 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.674 2.916 . . . . 0.0 113.84 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -70.17 -30.8 68.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.884 -174.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.28 -36.09 72.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.069 0.461 . . . . 0.0 110.394 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.69 ' HB2' HD11 ' A' ' 45' ' ' LEU . 37.6 mt -74.68 -23.24 58.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.293 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 51.9 mt-30 -80.13 -19.19 47.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.812 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -82.31 -30.25 30.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.231 0.538 . . . . 0.0 109.99 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.2 mt -76.3 143.51 40.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.933 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -105.82 -25.36 12.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.914 0.388 . . . . 0.0 110.537 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.6 m -90.93 136.17 33.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.977 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.522 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 62.1 tp -63.53 -50.72 71.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.29 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 12.4 Cg_endo -57.06 -34.66 98.11 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.015 1.81 . . . . 0.0 112.366 177.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.59 92.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.515 HE21 ' HA ' ' A' ' 55' ' ' LEU . 50.4 mt-30 -60.59 -55.96 27.03 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.617 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.68 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.012 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -63.53 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.672 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.549 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 65.4 t60 -71.82 -28.54 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.615 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 87.3 mt -61.78 -49.87 74.64 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.22 0.533 . . . . 0.0 110.03 173.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.56 -34.77 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.245 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.549 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 11.6 t70 -58.92 -58.71 7.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.19 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.8 t -162.34 77.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.916 0.865 . . . . 0.0 111.405 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.55 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 70.7 m -151.48 177.54 10.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.644 172.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.03 -148.19 0.39 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -95.46 164.43 12.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.714 0.292 . . . . 0.0 110.393 -175.461 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.04 162.17 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.07 0.462 . . . . 0.0 111.023 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.56 122.37 35.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.838 177.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.463 HG11 ' OE1' ' A' ' 36' ' ' GLU . 30.8 m -86.22 -3.07 8.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.405 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.71 177.83 29.58 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.497 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.28 13.49 8.0 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.008 0.523 . . . . 0.0 111.654 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.05 -18.79 56.05 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.419 ' HE3' HG22 ' A' ' 71' ' ' VAL . 46.3 pttt -93.97 173.33 7.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.992 0.425 . . . . 0.0 110.683 -178.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -141.37 170.98 14.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -173.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 56.7 tp -135.82 118.62 16.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.312 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.519 ' HG3' ' HB2' ' A' ' 15' ' ' LEU . 10.3 pt20 -129.6 149.57 51.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.305 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -147.29 146.19 29.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.385 -176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -140.55 143.77 35.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.895 0.379 . . . . 0.0 109.987 174.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.442 ' HB1' ' CE2' ' A' ' 12' ' ' PHE . . . -98.58 129.7 45.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -178.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 121.32 0.581 . . . . 0.0 109.901 176.451 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -97.27 -167.04 1.47 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.251 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.413 HD21 HG22 ' A' ' 82' ' ' VAL . 10.7 t30 -113.9 123.31 49.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.137 0.494 . . . . 0.0 111.91 -170.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -120.6 140.33 51.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.619 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.416 HG23 ' CD1' ' A' ' 23' ' ' PHE . 84.9 t -102.33 107.54 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.501 HG22 HD22 ' A' ' 24' ' ' LEU . 81.6 t -94.47 127.89 46.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.297 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.3 mt -118.65 102.63 9.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.392 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--N 1.32 -0.685 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.692 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.416 ' CD1' HG23 ' A' ' 13' ' ' VAL . 67.9 m-85 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 1.7 pp -125.4 178.07 5.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.842 0.353 . . . . 0.0 111.522 -176.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.2 p -96.05 173.45 7.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.58 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 m -52.51 -43.27 64.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.799 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -66.96 -38.46 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.149 -176.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 40.8 mt-10 -71.96 -35.03 69.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.011 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.445 HD21 ' CD1' ' A' ' 79' ' ' TRP . 57.1 tp -63.26 -39.94 96.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.086 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.8 mt -54.86 -51.46 65.86 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.773 175.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -56.15 -42.19 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.151 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -62.59 -55.11 30.25 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.726 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.423 HD22 HD12 ' A' ' 62' ' ' LEU . 45.1 mt -57.35 -44.58 84.42 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -56.38 -51.45 68.27 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.439 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -66.2 -46.77 77.23 Favored Glycine 0 C--O 1.24 0.525 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.552 ' O ' HD11 ' A' ' 40' ' ' ILE . 5.3 mm-40 -69.96 -18.93 63.37 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 122.718 -0.284 . . . . 0.0 110.934 -178.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.2 tp -86.37 -42.75 13.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.84 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.439 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.4 pt-20 -64.84 -24.44 67.54 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.409 -177.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -81.3 -8.88 59.82 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.41 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -92.01 146.76 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 m -64.8 130.71 44.52 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 110.634 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -69.5 -10.93 60.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.459 -175.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 p -88.82 -13.91 38.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.74 -36.97 9.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.082 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 49' ' ' LEU . 2.9 pp -60.82 155.23 53.79 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.623 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 11.3 Cg_endo -54.88 151.08 34.6 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.216 2.611 . . . . 0.0 113.624 -175.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.05 -29.82 63.75 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.088 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 15.7 mm-40 -48.92 -51.11 31.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.178 0.513 . . . . 0.0 110.707 173.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.82 ' HB2' HD11 ' A' ' 45' ' ' LEU . 28.5 mt -73.51 -26.24 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.585 -175.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -70.95 -36.55 72.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HE2' ' HA ' ' A' ' 48' ' ' GLU . 41.7 mtmt -74.74 -28.75 60.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.906 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 84.2 mt -70.61 126.73 30.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.197 0.522 . . . . 0.0 110.487 176.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -82.49 -18.89 40.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.74 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.8 m -118.67 136.07 54.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.816 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.541 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 46.3 tp -59.18 -48.72 95.82 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.785 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.0 Cg_endo -55.45 -36.58 94.41 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.071 1.848 . . . . 0.0 112.264 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.73 84.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.773 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.513 ' HB3' HD22 ' A' ' 49' ' ' LEU . 79.4 mt-30 -60.8 -51.05 70.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.284 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.53 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -65.29 -35.02 79.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.004 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.65 -37.66 82.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.547 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 37.0 t60 -71.02 -26.85 63.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 110.451 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 59' ' ' ALA . 68.5 mt -59.58 -54.92 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 173.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.2 -37.43 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.419 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.547 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 9.8 t70 -51.9 -48.53 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.645 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.8 p -105.5 -72.6 0.71 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.719 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.3 m 144.11 126.59 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.236 1.814 . . . . 0.0 108.794 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.524 ' HB3' HD23 ' A' ' 62' ' ' LEU . 42.0 t -155.13 123.5 5.96 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -93.17 129.1 39.3 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.201 0.524 . . . . 0.0 109.862 -169.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.9 tp -116.97 127.25 54.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.711 -163.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -81.71 115.87 21.16 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 169.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.575 HG23 ' HG3' ' A' ' 75' ' ' LYS . 11.3 m -107.47 27.89 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -170.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.58 170.35 43.9 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.819 174.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.95 5.6 2.44 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.001 0.52 . . . . 0.0 111.822 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.77 5.12 88.38 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.449 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.575 ' HG3' HG23 ' A' ' 71' ' ' VAL . 42.7 pttt -97.27 140.8 31.2 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -107.04 138.87 42.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.114 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.4 tp -93.67 112.55 24.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.776 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -125.28 139.21 53.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.423 -176.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.445 ' CD1' HD21 ' A' ' 29' ' ' LEU . 15.2 p90 -144.62 139.64 28.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.823 0.344 . . . . 0.0 110.184 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -116.88 135.57 53.63 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.03 111.41 19.27 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.413 HG22 HD21 ' A' ' 11' ' ' ASN . 11.4 m . . . . . 0 C--N 1.32 -0.701 0 CA-C-O 121.258 0.552 . . . . 0.0 109.692 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.734 0.302 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -75.14 -178.37 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.54 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -124.12 122.81 38.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.132 0.492 . . . . 0.0 110.779 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 76.9 m-85 -100.92 144.38 29.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.092 -177.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.77 101.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.796 0.807 . . . . 0.0 108.826 171.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.65 125.38 40.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.92 -175.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.2 mt -100.69 110.26 22.36 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 174.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' HG3' HD11 ' A' ' 77' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.318 -0.764 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -174.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.606 0.241 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -138.65 143.25 39.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.4 p -81.07 176.47 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.326 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 m -54.21 -40.47 67.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.582 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.0 -44.14 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 33.6 mt-10 -70.2 -36.78 74.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.541 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 tp -63.62 -37.97 89.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.344 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.6 mt -54.94 -54.45 42.59 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.609 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.51 -35.24 77.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HZ1' HD11 ' A' ' 77' ' ' LEU . 56.9 tttm -65.3 -51.97 57.19 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.055 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.65 -50.4 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.737 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HB3' HD22 ' A' ' 55' ' ' LEU . 49.7 mtpt -52.1 -52.96 48.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.259 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.64 -46.72 93.14 Favored Glycine 0 C--O 1.241 0.538 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.745 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' O ' HG13 ' A' ' 40' ' ' ILE . 44.5 mt-10 -75.22 -19.21 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.746 0.308 . . . . 0.0 110.718 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.08 -31.89 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.237 174.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -59.81 -38.46 82.04 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.189 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -78.91 -0.23 30.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.458 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 36' ' ' GLU . 65.5 mt -94.09 139.96 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.982 0.42 . . . . 0.0 110.572 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.404 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 46.6 t -73.4 148.14 43.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.475 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -66.45 -22.4 66.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.862 0.363 . . . . 0.0 110.434 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.1 t -88.08 3.57 48.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.112 0.482 . . . . 0.0 110.227 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -115.29 -30.65 6.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.411 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.664 HD12 ' HB2' ' A' ' 49' ' ' LEU . 3.3 pp -85.85 154.21 58.2 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.534 ' HD2' HD12 ' A' ' 49' ' ' LEU . 61.7 Cg_exo -53.52 153.15 18.94 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.467 2.778 . . . . 0.0 113.752 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.42 -28.7 69.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.555 -176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.753 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 63.2 mm-40 -58.9 -42.35 89.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.277 0.56 . . . . 0.0 110.382 177.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.664 ' HB2' HD12 ' A' ' 45' ' ' LEU . 64.7 mt -72.96 -21.81 60.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.458 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.83 -32.24 63.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.753 ' HE2' ' HA ' ' A' ' 48' ' ' GLU . 43.8 mtmt -76.4 -25.08 54.16 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.944 0.402 . . . . 0.0 110.651 175.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 58' ' ' GLN . 75.6 mt -79.18 106.88 11.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.268 0.556 . . . . 0.0 109.959 173.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.17 -29.11 70.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.839 -169.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -117.76 143.61 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.243 -173.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 10.6 tp -54.77 -51.5 78.4 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.588 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.0 Cg_endo -52.53 -39.98 73.41 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.224 1.949 . . . . 0.0 112.351 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.05 88.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.723 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.494 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 77.1 mt-30 -62.13 -56.27 20.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.616 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -63.18 -38.54 91.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.569 -177.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.68 -37.79 87.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.594 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 69.1 t60 -73.95 -26.01 60.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.542 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 58' ' ' GLN . 98.4 mt -59.86 -45.93 90.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 172.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.63 -25.39 34.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.966 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.594 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 42.2 m-20 -61.0 -45.51 94.51 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.086 0.47 . . . . 0.0 110.002 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 p -105.39 -82.17 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.81 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.8 m 144.87 138.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.103 1.761 . . . . 0.0 108.644 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 75.8 m -149.66 152.91 36.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.736 0.303 . . . . 0.0 110.476 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -96.25 117.03 29.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.5 tp -118.32 123.54 45.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.839 -169.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.55 108.04 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.591 HG21 ' HB2' ' A' ' 75' ' ' LYS . 2.5 m -102.64 21.75 2.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -171.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.29 149.89 25.97 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.582 -0.818 . . . . 0.0 113.274 171.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.64 11.8 7.03 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.289 0.636 . . . . 0.0 112.172 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.08 12.49 63.47 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.667 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.591 ' HB2' HG21 ' A' ' 71' ' ' VAL . 16.5 mtmt -79.06 134.54 36.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -113.68 122.22 46.49 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.492 HD11 ' HZ1' ' A' ' 32' ' ' LYS . 56.6 tp -104.53 117.44 34.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.402 -175.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -137.4 146.9 44.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.599 171.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 33.1 p90 -133.5 136.47 45.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.917 0.389 . . . . 0.0 110.527 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -140.96 146.3 37.16 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . . . -96.4 132.49 41.87 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.054 0.454 . . . . 0.0 111.241 -175.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 172.64 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.505 ' HB2' HG21 ' A' ' 25' ' ' THR . 1.8 mp0 . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.741 0.305 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.64 148.21 51.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.955 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -105.63 137.38 43.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.483 . . . . 0.0 110.638 -175.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.58 140.59 44.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.998 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.6 t -86.29 114.78 26.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.005 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.553 HG11 HD12 ' A' ' 77' ' ' LEU . 88.8 t -104.42 105.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.19 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.5 mt -107.3 112.17 24.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.015 -176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.927 174.338 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.1 p90 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 121.029 0.443 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -134.91 174.6 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.276 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.505 HG21 ' HB2' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -80.95 163.86 23.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -176.533 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 m -52.48 -40.62 62.54 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.9 0.48 . . . . 0.0 112.255 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.96 -44.5 81.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.207 -174.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.42 -37.85 84.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.69 0.281 . . . . 0.0 110.543 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.22 -38.94 89.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.109 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -61.85 -48.41 80.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.083 178.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.536 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 41.4 mt-10 -68.01 -32.8 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.017 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -66.48 -53.0 40.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.213 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.22 -27.96 68.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.494 -177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 54.8 mtmt -62.13 -38.99 91.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.702 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.534 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -73.92 -44.08 31.94 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.136 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.531 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -57.34 -32.36 66.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.176 -0.512 . . . . 0.0 110.826 175.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 tp -84.68 -41.17 16.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.822 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.534 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.3 pt-20 -67.63 -23.78 65.39 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.418 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 59.4 pttt -83.87 2.46 38.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.376 0.608 . . . . 0.0 110.435 177.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 36' ' ' GLU . 1.6 mp -108.99 143.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.265 174.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.5 t -59.45 133.58 56.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.721 0.296 . . . . 0.0 110.769 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.424 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . 93.2 m-85 -71.9 -9.8 58.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -93.96 -13.76 26.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.211 0.529 . . . . 0.0 109.738 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -99.69 -36.01 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.348 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 49' ' ' LEU . 2.6 pp -63.28 160.45 40.81 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.14 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.539 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 87.5 Cg_exo -44.42 141.71 5.02 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.604 2.869 . . . . 0.0 113.684 -177.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.504 HD13 ' HE3' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -53.82 -40.79 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.026 -176.819 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.58 -32.54 70.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.353 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.769 ' HB2' HD11 ' A' ' 45' ' ' LEU . 25.4 mt -78.19 -20.36 52.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.274 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -76.66 -29.65 56.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.862 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.504 ' HE3' HD13 ' A' ' 47' ' ' LEU . 99.5 mttt -76.39 -34.24 58.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.427 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.7 mt -77.81 138.99 39.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -99.38 -29.81 12.56 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.272 -174.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 46.9 m -96.12 130.21 43.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.379 -176.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.557 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 6.6 mp -49.21 -48.39 73.9 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.654 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.0 Cg_endo -54.78 -28.36 57.13 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.284 1.99 . . . . 0.0 113.04 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.33 -40.96 22.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.379 0.609 . . . . 0.0 109.833 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 54' ' ' SER . 57.4 mt-30 -64.4 -47.97 77.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.489 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.411 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -67.76 -34.48 76.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.453 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.445 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 13.3 tm0? -64.35 -42.76 96.06 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -53.42 -44.16 68.54 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.532 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 49' ' ' LEU . 78.3 mt -55.99 -55.04 37.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.354 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.5 mt -59.61 -45.54 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.994 -176.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.12 -30.85 71.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.918 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 p -109.63 -81.88 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.609 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m 145.56 135.94 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.265 1.826 . . . . 0.0 108.188 -171.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 74.1 m -151.73 167.98 26.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -96.46 137.8 35.0 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 tp -151.36 113.21 4.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.672 0.272 . . . . 0.0 111.34 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -75.38 120.69 21.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.519 HG21 ' HG3' ' A' ' 75' ' ' LYS . 29.2 m -102.84 20.22 3.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -170.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.521 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 92.27 156.54 32.85 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.592 171.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 67.31 -4.55 0.85 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.531 0.732 . . . . 0.0 112.284 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.07 7.97 67.38 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.049 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 62.6 pttt -87.45 156.43 19.57 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -106.12 156.12 18.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.781 0.324 . . . . 0.0 110.807 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.553 HD12 HG11 ' A' ' 14' ' ' VAL . 41.1 tp -147.57 125.84 12.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.217 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.15 152.65 40.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 172.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 23.1 p90 -128.77 140.76 51.57 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.868 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -140.47 144.92 36.32 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.58 120.16 27.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.123 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.321 -0.638 0 CA-C-O 121.707 0.765 . . . . 0.0 110.26 176.197 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.469 ' HB3' HG23 ' A' ' 25' ' ' THR . 28.0 mt-30 . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -79.93 156.51 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -106.44 131.77 53.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.323 0.582 . . . . 0.0 110.024 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 81' ' ' ALA . 75.8 m-85 -116.96 137.37 52.26 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.231 -175.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.3 m -91.65 111.05 23.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -97.38 118.64 44.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.082 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -107.81 102.41 11.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.149 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.488 ' HG2' HD11 ' A' ' 77' ' ' LEU . 21.5 mt-10 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.1 p90 . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -131.97 157.27 44.49 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.157 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -82.25 170.69 15.11 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -174.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 m -53.3 -42.43 66.62 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -66.47 -47.77 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 110.969 -175.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.66 -36.42 84.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.3 tp -64.53 -43.03 95.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.09 176.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -54.49 -52.53 61.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.39 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.9 -37.6 82.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.571 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -63.31 -51.2 67.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 110.097 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.48 -38.49 87.48 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.525 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -60.11 -39.13 85.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.697 0.284 . . . . 0.0 111.004 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -77.42 -42.31 18.6 Favored Glycine 0 C--O 1.237 0.308 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.939 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.538 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -67.78 -21.03 65.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.777 0.322 . . . . 0.0 111.159 178.804 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.1 tp -85.92 -38.55 17.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.508 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 10.9 pt-20 -70.26 -27.25 64.29 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.341 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 65.5 pttt -74.71 -12.34 60.39 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.923 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.508 HD12 ' HG3' ' A' ' 39' ' ' LYS . 1.7 mp -94.57 137.96 21.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 m -62.18 146.03 51.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.151 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.54 -36.4 82.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.671 -174.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.4 m -77.92 -11.67 59.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.062 0.458 . . . . 0.0 110.661 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -96.25 -19.15 19.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.803 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 49' ' ' LEU . 3.8 pp -86.14 156.78 57.27 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.463 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.491 ' HD2' HD12 ' A' ' 49' ' ' LEU . 88.6 Cg_exo -48.91 142.68 19.03 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.41 2.74 . . . . 0.0 113.716 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.79 -31.03 70.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.18 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -56.75 -38.16 72.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.095 0.474 . . . . 0.0 110.669 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.638 ' HB2' HD11 ' A' ' 45' ' ' LEU . 44.8 mt -74.09 -26.99 60.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.311 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -73.87 -28.01 61.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.341 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -70.14 -35.38 74.02 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.823 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 53.9 mt -72.84 140.79 47.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.012 176.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.92 -35.24 14.84 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.198 -172.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -99.61 143.04 30.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.575 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.545 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 47.8 tp -61.28 -49.02 89.76 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.609 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.3 Cg_endo -56.08 -38.12 95.3 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.955 1.77 . . . . 0.0 112.042 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.94 88.29 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.495 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.463 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 73.5 mt-30 -63.21 -52.97 60.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.476 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.524 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -61.63 -40.44 94.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.492 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.82 -42.36 95.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.542 ' O ' HG23 ' A' ' 65' ' ' THR . 28.9 m80 -69.0 -32.23 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.581 HD21 HD13 ' A' ' 49' ' ' LEU . 55.2 mt -53.18 -52.4 58.94 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 173.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.455 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 56.9 mt -58.13 -39.81 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.497 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.76 -47.16 55.49 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -172.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 61' ' ' HIS . 9.6 t -100.24 -25.12 14.36 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -169.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.7 m -145.43 -179.16 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.004 -0.435 . . . . 0.0 111.524 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.6 m -149.94 98.82 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 168.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -175.4 156.14 1.95 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.485 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.806 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 40.4 tp -167.37 111.73 0.7 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 172.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -70.64 115.56 9.94 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.5 m -120.74 18.31 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.006 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.82 168.42 17.44 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.524 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.26 98.21 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.831 0.348 . . . . 0.0 110.572 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.36 -5.78 71.16 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.041 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -106.08 127.02 52.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.849 0.357 . . . . 0.0 110.589 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -136.28 153.9 51.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.248 0.547 . . . . 0.0 110.623 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.806 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 44.3 tp -105.86 118.02 35.52 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.72 176.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.41 154.24 42.22 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.455 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 48.6 p90 -154.03 141.45 19.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.534 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -141.22 143.59 34.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.013 0.435 . . . . 0.0 110.609 173.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.559 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . . . -86.9 142.61 27.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.873 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.319 -0.747 0 CA-C-O 121.414 0.626 . . . . 0.0 110.38 176.249 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.459 ' HG2' HD13 ' A' ' 27' ' ' ILE . 98.4 mt-30 . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.401 0.143 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.6 t70 -109.14 -168.89 1.39 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 174.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -107.18 116.83 32.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.999 0.428 . . . . 0.0 110.712 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -118.77 130.64 55.9 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.0 t -98.72 121.94 49.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.475 ' CG2' HD23 ' A' ' 24' ' ' LEU . 92.6 t -99.39 117.53 44.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.309 0.576 . . . . 0.0 110.622 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -99.41 129.83 45.63 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.003 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.319 -0.737 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 173.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.9 p90 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 121.233 0.54 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.475 HD23 ' CG2' ' A' ' 14' ' ' VAL . 1.0 OUTLIER -152.67 162.22 41.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.741 173.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 47.1 p -82.12 171.36 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.204 0.526 . . . . 0.0 112.188 -174.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' A' ' 9' ' ' GLN . 4.9 m -51.61 -47.17 63.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.308 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.459 HD13 ' HG2' ' A' ' 9' ' ' GLN . 1.7 mp -66.58 -42.69 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.725 0.297 . . . . 0.0 110.767 -177.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.86 -43.23 96.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.8 tp -66.32 -36.72 83.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.808 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -56.74 18.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.134 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.544 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 54.7 mm-40 -61.2 -35.4 77.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.008 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -64.94 -51.54 61.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.448 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.0 mt -62.12 -35.26 78.2 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.08 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 54.5 mtpt -57.96 -40.26 80.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.632 0.253 . . . . 0.0 110.866 176.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.25 -53.15 19.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.951 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.838 ' HB3' HD22 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -57.64 -36.45 71.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.314 178.751 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.58 -43.95 62.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.636 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -75.72 -15.55 60.27 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.729 -175.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -89.01 -5.71 57.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.118 0.485 . . . . 0.0 109.815 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.513 HD11 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -95.53 144.13 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.085 172.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 m -59.5 130.95 49.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.97 0.414 . . . . 0.0 110.99 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.473 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . 91.2 m-85 -70.71 -10.77 60.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.086 -175.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.4 p -83.15 -22.55 33.27 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.212 0.529 . . . . 0.0 110.87 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.84 -19.61 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.468 -171.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.842 HD11 ' HB2' ' A' ' 49' ' ' LEU . 3.1 pp -72.67 156.26 90.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.709 176.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.61 151.68 24.0 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.231 2.621 . . . . 0.0 113.701 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.21 -28.03 68.85 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.879 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -49.84 -45.89 50.78 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.865 0.841 . . . . 0.0 110.566 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.842 ' HB2' HD11 ' A' ' 45' ' ' LEU . 22.0 mt -79.56 -21.01 45.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.714 -174.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.44 -22.33 54.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.241 0.544 . . . . 0.0 110.129 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -82.69 -34.71 27.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.943 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.7 mt -78.06 119.75 21.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.795 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.57 -30.04 62.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.72 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -98.44 132.57 43.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.703 0.287 . . . . 0.0 111.054 -175.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.511 ' HB3' ' HD3' ' A' ' 56' ' ' PRO . 34.6 tp -58.29 -44.81 99.56 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.358 177.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 53.6 Cg_exo -53.38 -44.19 51.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 122.068 1.845 . . . . 0.0 112.224 174.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.68 93.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.699 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -57.58 -55.86 29.4 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.672 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.447 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -62.01 -35.68 79.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.064 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -61.86 -41.4 97.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.613 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.509 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 61.0 t60 -70.24 -22.58 62.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.725 0.298 . . . . 0.0 110.63 -178.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 59' ' ' ALA . 96.0 mt -65.71 -53.1 45.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 171.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.82 -28.94 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.489 0.661 . . . . 0.0 109.834 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.509 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 33.2 t70 -64.72 -58.03 7.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.211 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 t -166.72 21.82 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.4 m -136.5 124.46 22.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.412 -0.805 . . . . 0.0 110.819 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.3 t -132.51 104.01 6.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.01 0.433 . . . . 0.0 111.581 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -172.18 121.83 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.984 169.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.838 HD22 ' HB3' ' A' ' 36' ' ' GLU . 32.5 tp -150.34 111.38 4.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.05 0.452 . . . . 0.0 110.74 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -93.32 107.11 18.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.381 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.526 HG23 ' HG3' ' A' ' 75' ' ' LYS . 24.2 m -98.76 17.95 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.544 -176.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.444 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 74.95 172.07 29.39 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.169 -0.538 . . . . 0.0 113.611 173.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 66.85 21.3 10.46 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.34 0.656 . . . . 0.0 112.162 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.23 0.91 87.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.945 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.526 ' HG3' HG23 ' A' ' 71' ' ' VAL . 24.9 pttm -104.42 147.72 27.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.925 0.393 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -124.08 149.0 46.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.68 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.526 HD21 ' HG2' ' A' ' 36' ' ' GLU . 13.1 tp -101.39 115.45 30.53 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -121.19 132.23 54.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.959 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.428 ' CZ2' ' HB3' ' A' ' 62' ' ' LEU . 44.1 p90 -126.37 144.16 50.92 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.892 0.377 . . . . 0.0 110.18 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.61 155.05 46.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.19 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -89.68 131.64 35.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.219 -175.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 121.532 0.682 . . . . 0.0 110.675 174.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 . . . . . 0 C--O 1.234 0.277 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 11' ' ' ASN . 6.8 t70 -90.03 -158.04 0.5 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -175.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.462 ' H ' HD21 ' A' ' 11' ' ' ASN . 0.1 OUTLIER -127.41 139.52 52.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.668 0.746 . . . . 0.0 111.436 -174.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -121.05 137.98 54.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.551 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 23' ' ' PHE . 24.9 t -94.45 119.33 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.447 ' CG2' HD21 ' A' ' 24' ' ' LEU . 92.2 t -105.27 124.75 60.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.198 0.523 . . . . 0.0 111.298 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.5 mt -109.99 114.16 27.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.498 176.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.508 ' HB3' HG21 ' A' ' 13' ' ' VAL . 50.9 p90 . . . . . 0 C--O 1.236 0.35 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 24' ' ' LEU . 1.1 pt? -146.09 169.49 18.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.437 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -83.07 162.6 21.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.063 -175.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.453 HG23 HG21 ' A' ' 63' ' ' ILE . 8.8 m -48.52 -47.05 39.31 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.004 0.522 . . . . 0.0 112.099 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.487 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 51.3 mm -60.96 -41.65 89.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.365 0.602 . . . . 0.0 110.846 -178.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' CB ' HD13 ' A' ' 24' ' ' LEU . 36.3 mt-10 -67.93 -37.09 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.515 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.07 -35.33 79.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.337 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 19.5 mt -52.49 -54.56 30.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.711 173.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -58.38 -37.9 76.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.953 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.78 -57.89 10.11 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.846 0.355 . . . . 0.0 110.562 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.25 -42.63 98.95 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.783 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -54.48 -49.39 70.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.05 -49.34 54.51 Favored Glycine 0 C--O 1.239 0.426 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.429 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.61 ' HA ' ' HZ2' ' A' ' 39' ' ' LYS . 47.5 mm-40 -60.18 -44.11 95.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.505 0.193 . . . . 0.0 110.524 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.55 -43.45 93.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.879 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -69.67 -20.17 63.58 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.552 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.61 ' HZ2' ' HA ' ' A' ' 36' ' ' GLU . 29.9 mtmm -65.89 -32.33 73.77 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.27 172.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -75.34 140.01 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -58.13 133.59 55.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.906 0.384 . . . . 0.0 110.703 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -67.11 -12.37 59.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.899 -176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 m -96.09 -3.76 44.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.925 0.393 . . . . 0.0 111.017 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.05 -41.82 6.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.072 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 49' ' ' LEU . 2.8 pp -58.49 158.2 15.79 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.293 -178.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HD2' HD12 ' A' ' 49' ' ' LEU . 77.0 Cg_exo -43.01 139.29 3.64 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.402 2.734 . . . . 0.0 113.526 -175.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.474 ' HG ' ' HE3' ' A' ' 51' ' ' LYS . 58.0 tp -58.26 -31.59 67.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.459 -177.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -60.99 -39.65 90.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.179 0.514 . . . . 0.0 110.323 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.571 ' HB2' HD11 ' A' ' 45' ' ' LEU . 39.1 mt -72.1 -31.89 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.939 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -64.96 -27.69 69.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.729 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.474 ' HE3' ' HG ' ' A' ' 47' ' ' LEU . 91.2 mttt -76.65 -34.17 58.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.92 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -74.68 109.29 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.643 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -65.62 -28.69 69.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.311 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -96.02 129.64 43.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.102 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.584 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 43.1 tp -62.94 -45.94 87.19 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.674 177.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.9 Cg_endo -55.89 -31.46 81.42 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 122.28 1.986 . . . . 0.0 112.259 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.55 -40.6 73.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.539 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -60.3 -52.03 67.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.288 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.34 86.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.26 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -63.36 -39.27 94.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.781 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -55.66 -42.43 75.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.56 -52.23 66.08 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.486 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.453 HG21 HG23 ' A' ' 26' ' ' THR . 85.2 mt -55.63 -45.62 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.37 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.44 -37.28 85.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.99 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' A' ' 66' ' ' SER . 21.7 p -108.6 -79.93 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.513 ' HB2' ' O ' ' A' ' 65' ' ' THR . 24.9 t 156.63 160.23 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.495 1.118 . . . . 0.0 108.223 -174.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 19.9 t -176.04 158.76 2.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.856 0.36 . . . . 0.0 110.24 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' CD ' ' HH ' ' A' ' 76' ' ' TYR . 8.5 mm-40 -106.87 120.18 41.33 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 172.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 tp -129.07 122.87 30.86 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -171.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.48 113.85 20.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 166.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.581 HG23 ' HB2' ' A' ' 75' ' ' LYS . 7.6 m -90.62 16.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -171.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.95 156.45 32.69 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.349 172.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 67.66 15.51 9.72 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.062 0.545 . . . . 0.0 111.523 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.24 0.31 77.19 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.043 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HB2' HG23 ' A' ' 71' ' ' VAL . 41.0 mtmt -79.37 146.62 32.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.277 0.561 . . . . 0.0 110.275 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.454 ' HH ' ' CD ' ' A' ' 68' ' ' GLU . 29.8 t80 -124.3 120.08 31.16 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.411 HD22 HG12 ' A' ' 71' ' ' VAL . 43.5 tp -105.49 130.03 53.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.887 0.375 . . . . 0.0 111.336 -174.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -129.83 131.08 46.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.823 175.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -132.66 140.37 48.13 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -134.36 139.46 45.65 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.7 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.61 118.24 26.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.399 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.32 -0.685 0 CA-C-O 121.646 0.736 . . . . 0.0 109.928 177.895 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.935 0.397 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' THR . 13.1 t70 -116.87 -169.07 1.57 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 171.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.39 116.13 31.39 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.68 0.752 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 20.3 m-85 -103.27 140.25 37.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.924 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.8 p -87.13 112.08 22.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.699 0.762 . . . . 0.0 110.711 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG22 HD13 ' A' ' 29' ' ' LEU . 90.9 t -103.71 129.89 55.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.886 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . 53.7 mt -92.3 102.11 14.6 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.592 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.814 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 22.7 p90 . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 121.405 0.621 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -134.83 172.78 12.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.069 -176.08 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 31.6 p -89.83 168.98 11.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.036 0.445 . . . . 0.0 111.5 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -51.22 -52.67 42.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.267 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.04 -37.42 67.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.132 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.18 -50.69 63.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.712 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.48 HD13 HG22 ' A' ' 14' ' ' VAL . 36.4 tp -60.8 -33.44 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.659 -178.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.97 -62.7 1.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.097 175.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 52.2 mm-40 -60.95 -33.56 73.37 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.17 -176.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -57.12 14.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.732 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.01 -37.06 86.06 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.545 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 56.6 mtpt -56.54 -38.25 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.602 0.239 . . . . 0.0 111.039 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.628 ' O ' ' HG3' ' A' ' 39' ' ' LYS . . . -70.76 -53.81 11.07 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.036 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' O ' HD11 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -61.32 -32.3 72.17 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.454 -0.439 . . . . 0.0 111.051 179.829 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.0 tp -66.47 -40.11 89.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.34 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.618 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 3.2 pp20? -76.57 -13.68 60.06 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.804 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.628 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 45.1 mttm -81.88 -27.24 33.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.033 0.444 . . . . 0.0 110.575 173.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.479 HD11 ' O ' ' A' ' 36' ' ' GLU . 1.6 mp -80.38 142.05 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.078 177.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.5 m -60.32 140.47 57.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.059 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.13 -21.78 63.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.931 0.396 . . . . 0.0 111.119 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -92.03 0.53 57.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -107.63 -34.16 7.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.765 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -67.04 153.63 94.15 Favored Pre-proline 0 C--O 1.238 0.452 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.631 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.473 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 79.9 Cg_exo -46.48 142.51 9.46 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.503 2.802 . . . . 0.0 113.701 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -37.42 74.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.395 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 3.9 tp10 -57.65 -33.07 67.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.616 0.722 . . . . 0.0 110.431 -176.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.528 ' HB2' HD11 ' A' ' 45' ' ' LEU . 36.0 mt -72.42 -26.3 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.155 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -73.61 -25.37 60.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.869 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 5.2 mptp? -70.05 -36.02 74.69 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.381 0.61 . . . . 0.0 110.209 171.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.505 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 68.3 mt -78.48 112.52 15.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.539 -178.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.13 -34.65 78.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.898 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 t -92.17 123.96 35.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 49.2 tp -54.8 -49.82 89.48 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.771 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.2 Cg_endo -56.79 -39.62 90.08 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 121.83 1.687 . . . . 0.0 112.637 175.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.88 78.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.761 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.505 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 78.2 mt-30 -61.38 -51.14 70.03 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.275 176.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -61.54 -39.47 91.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.921 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -62.64 -40.18 96.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.584 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -65.68 -34.79 79.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.571 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.78 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 92.4 mt -58.61 -49.0 79.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.076 0.465 . . . . 0.0 110.128 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.594 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 38.5 mt -63.54 -37.95 80.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.677 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -68.14 -61.91 1.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.478 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 p -150.39 70.42 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.78 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 49.0 m -147.91 -174.9 4.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.318 -0.239 . . . . 0.0 110.481 171.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 57.9 m -107.02 -166.13 1.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.421 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 77' ' ' LEU . 3.0 mp0 -94.35 176.37 6.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -141.81 153.56 44.6 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.926 0.394 . . . . 0.0 111.748 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -85.05 126.45 33.58 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.428 ' CG2' ' HG3' ' A' ' 75' ' ' LYS . 32.8 m -105.27 14.17 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.857 -172.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.522 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 94.17 149.45 25.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.991 176.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 72.01 18.63 4.88 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.33 0.652 . . . . 0.0 112.126 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.25 -8.67 69.89 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.709 -0.758 . . . . 0.0 113.227 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 25.7 pttm -89.62 143.33 26.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -113.56 170.98 7.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.484 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 36.6 tp -135.02 111.67 9.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.623 176.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.549 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 1.6 mp0 -113.55 143.03 45.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.057 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.594 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 38.2 p90 -147.06 137.92 23.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 176.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -142.12 137.87 31.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.119 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.07 113.45 18.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.799 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.042 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.516 ' HG2' HG12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.929 0.395 . . . . 0.0 111.214 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.88 154.26 41.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.223 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.547 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 4.1 p-10 -107.07 147.02 30.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.219 0.533 . . . . 0.0 111.239 -176.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.418 ' HD1' ' HA ' ' A' ' 81' ' ' ALA . 96.6 m-85 -115.4 144.3 44.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.575 177.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.538 ' HB ' ' HD2' ' A' ' 80' ' ' TYR . 59.3 t -86.07 106.91 15.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.479 HG22 HD13 ' A' ' 29' ' ' LEU . 22.4 t -112.05 103.8 16.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.517 -175.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.49 HD12 ' HH ' ' A' ' 80' ' ' TYR . 92.4 mt -95.38 101.74 13.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.026 0.441 . . . . 0.0 110.152 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.913 -177.158 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.439 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . 3.5 p90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.951 0.405 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.503 HD22 ' N ' ' A' ' 24' ' ' LEU . 1.3 pt? -136.47 164.68 27.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.582 -165.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 11' ' ' ASN . 43.9 p -77.36 169.55 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.919 -174.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 m -49.59 -46.69 49.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.919 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.516 HG12 ' HG2' ' A' ' 9' ' ' GLN . 44.7 mm -67.09 -43.44 88.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -177.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.477 ' CB ' HD13 ' A' ' 24' ' ' LEU . 20.7 mm-40 -63.21 -41.53 99.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.163 0.506 . . . . 0.0 110.104 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.479 HD13 HG22 ' A' ' 14' ' ' VAL . 64.8 tp -60.97 -41.71 96.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.268 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.601 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.0 mt -53.84 -52.08 61.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.891 175.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 7.3 mm-40 -58.09 -40.13 80.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.447 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 23.1 ttmm -69.03 -52.54 27.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.648 176.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.1 mt -55.8 -46.34 78.05 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.721 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.601 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 43.6 mtmt -57.95 -41.35 82.67 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.282 0.364 . . . . 0.0 111.006 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -69.05 -46.82 57.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.433 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 6.6 mm-40 -69.22 -19.07 63.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.188 0.518 . . . . 0.0 110.36 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 tp -84.62 -42.73 15.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.228 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -70.67 -20.84 62.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.397 -176.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.514 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 17.7 ptpt -77.58 -8.16 57.42 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.92 0.391 . . . . 0.0 110.455 175.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.0 mt -94.93 142.84 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -67.06 135.58 53.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.056 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.434 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 84.6 m-85 -67.7 -10.64 54.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.335 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.5 p -83.33 -14.35 53.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.92 0.391 . . . . 0.0 110.924 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -110.54 -37.82 5.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.654 -171.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 49' ' ' LEU . 2.6 pp -63.0 153.44 80.81 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.064 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.475 ' HD2' HD13 ' A' ' 49' ' ' LEU . 98.5 Cg_exo -45.03 145.14 3.28 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.674 2.916 . . . . 0.0 113.909 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.521 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 41.6 tp -60.25 -30.54 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.219 -177.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.03 -43.01 63.53 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.506 0.67 . . . . 0.0 110.671 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.691 ' HB2' HD11 ' A' ' 45' ' ' LEU . 27.4 mt -78.73 -17.1 56.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.907 -176.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -81.91 -18.93 41.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.87 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 47' ' ' LEU . 91.3 mttt -83.26 -34.43 25.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.911 177.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 58' ' ' GLN . 62.2 mt -85.23 134.63 34.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.282 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.78 -30.86 16.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.861 0.363 . . . . 0.0 111.283 -177.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -92.04 138.25 31.69 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.745 0.307 . . . . 0.0 110.828 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.548 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 12.7 tp -62.66 -48.07 86.75 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.659 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.8 Cg_endo -55.29 -38.09 94.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 122.247 1.965 . . . . 0.0 112.229 176.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -45.78 84.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.608 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.461 ' HB3' HD23 ' A' ' 49' ' ' LEU . 79.5 mt-30 -59.4 -51.22 70.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.761 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 62' ' ' LEU . . . -61.87 -40.53 95.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.657 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.57 -36.57 82.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.684 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.512 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 46.8 t60 -64.89 -27.56 68.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.226 0.536 . . . . 0.0 109.922 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 95.3 mt -64.64 -51.79 60.75 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.04 -36.23 66.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.676 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.512 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 3.5 p30 -86.81 -34.68 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -174.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 p -129.03 -36.86 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.6 m -128.83 124.59 35.76 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 119.772 -0.771 . . . . 0.0 112.725 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 64.4 m -117.09 101.59 8.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.21 0.528 . . . . 0.0 110.443 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -173.01 118.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.4 tp -157.59 111.74 2.61 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.105 -177.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.56 117.76 32.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 170.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' A' ' 36' ' ' GLU . 29.6 m -86.09 4.49 3.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.698 -171.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.55 111.46 1.2 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.337 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 56.93 70.72 0.63 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.84 19.02 74.79 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.949 -0.569 . . . . 0.0 113.585 171.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -114.63 120.54 40.5 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -107.55 151.05 26.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.286 0.565 . . . . 0.0 111.835 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.1 tp -119.41 112.1 18.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.694 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -125.2 132.94 52.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 34.7 p90 -118.82 122.17 41.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.196 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.538 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 2.0 m-85 -97.57 122.26 40.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.418 ' HA ' ' HD1' ' A' ' 12' ' ' PHE . . . -74.94 111.67 10.38 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.442 -0.845 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.677 -179.216 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.49 ' OE1' ' HB ' ' A' ' 25' ' ' THR . 43.0 mt-30 . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 120.881 0.372 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -104.2 162.47 13.16 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -106.52 115.79 30.82 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.521 0.677 . . . . 0.0 109.51 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 86.0 m-85 -110.7 131.08 55.36 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.258 -176.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p -86.24 107.06 16.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.781 0.8 . . . . 0.0 109.723 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.0 t -93.51 123.99 45.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.078 -175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 mt -91.73 102.16 14.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.087 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.487 -176.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 14.5 p90 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 28' ' ' GLU . 1.9 pp -121.63 175.15 6.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.11 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.49 ' HB ' ' OE1' ' A' ' 9' ' ' GLN . 50.1 p -80.57 162.56 24.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.776 -174.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -55.91 -39.72 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.635 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -60.28 -45.13 96.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.819 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.45 ' HB2' HD12 ' A' ' 24' ' ' LEU . 38.7 mt-10 -62.35 -39.84 94.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.07 -42.71 80.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.385 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.0 -55.36 35.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.391 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.67 -39.46 77.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.374 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -63.4 -53.8 46.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.0 mt -57.37 -44.82 84.72 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.011 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -57.81 -54.7 43.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.771 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -65.34 -46.88 84.59 Favored Glycine 0 C--O 1.24 0.506 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.133 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.04 73.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.635 -0.283 . . . . 0.0 111.494 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.3 tp -79.82 -37.36 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.349 0.406 . . . . 0.0 111.786 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 1.8 pp20? -68.68 -25.65 64.9 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.186 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -82.09 -5.18 58.21 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.235 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mp -85.49 140.23 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 170.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 m -60.56 138.96 57.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.018 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -63.68 -34.8 78.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.7 p -86.54 10.82 14.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.996 0.427 . . . . 0.0 111.077 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -113.24 -36.27 5.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.649 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 49' ' ' LEU . 3.2 pp -73.03 158.54 86.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.014 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HD2' HD12 ' A' ' 49' ' ' LEU . 86.4 Cg_exo -47.42 144.39 10.05 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.482 2.788 . . . . 0.0 113.631 -177.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.55 -28.22 69.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.146 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -61.33 -41.05 96.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.312 0.577 . . . . 0.0 109.599 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.612 ' HB2' HD11 ' A' ' 45' ' ' LEU . 48.7 mt -74.59 -27.58 60.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.902 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -68.0 -22.76 64.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.525 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -85.46 -29.11 24.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.076 0.465 . . . . 0.0 110.349 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.94 106.91 13.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.771 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.32 -24.51 63.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.421 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -93.74 124.53 37.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.522 ' HB3' ' HD3' ' A' ' 56' ' ' PRO . 59.4 tp -57.94 -46.25 99.72 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.226 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.522 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 51.6 Cg_exo -56.52 -38.17 95.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 121.844 1.696 . . . . 0.0 112.13 174.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.76 82.0 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.731 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.532 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 51.5 mt-30 -55.34 -52.16 64.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.488 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.62 95.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.398 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -63.6 -42.45 98.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.105 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -64.53 -30.68 71.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.994 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.847 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.7 mt -60.77 -50.19 74.44 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.554 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 73.6 mt -59.16 -45.76 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.695 177.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -64.9 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.128 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.18 70.17 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.042 0.449 . . . . 0.0 111.965 -176.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.847 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 57.5 m -146.05 -169.78 3.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.768 0.318 . . . . 0.0 110.412 170.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.487 ' HB3' ' OE1' ' A' ' 68' ' ' GLU . 60.5 m -103.2 -149.26 0.4 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.321 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.487 ' OE1' ' HB3' ' A' ' 67' ' ' CYS . 2.2 pm0 -94.64 165.18 12.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.858 0.361 . . . . 0.0 110.22 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -131.11 123.33 28.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.207 -174.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -83.91 132.95 34.74 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 168.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.441 HG22 ' HG3' ' A' ' 75' ' ' LYS . 27.5 m -112.33 26.64 3.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -168.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.18 176.53 51.53 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.229 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 59.03 15.88 4.31 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.921 0.488 . . . . 0.0 112.078 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.27 7.25 77.33 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 121.422 -0.418 . . . . 0.0 113.343 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.441 ' HG3' HG22 ' A' ' 71' ' ' VAL . 19.8 ptmt -100.35 140.81 34.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.194 0.497 . . . . 0.0 110.54 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -111.26 142.69 43.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.015 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.4 tp -114.35 112.2 22.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.502 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -122.58 131.87 54.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.327 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.554 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 30.8 p90 -136.61 137.64 40.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.846 0.355 . . . . 0.0 110.187 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -141.59 145.96 35.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.335 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.48 136.46 36.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.408 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.792 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.621 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 27.4 mt-30 . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 25' ' ' THR . 15.3 m-20 -67.73 166.1 15.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.493 -177.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -106.55 125.7 51.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.407 0.622 . . . . 0.0 109.973 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -124.14 139.81 53.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.65 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.431 ' CG2' ' HB2' ' A' ' 80' ' ' TYR . 28.0 m -94.01 129.31 44.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.7 t -102.87 117.5 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.484 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.604 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -119.36 101.92 8.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.698 0.761 . . . . 0.0 109.705 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 75' ' ' LYS . 46.7 mt-10 . . . . . 0 C--N 1.314 -0.953 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.579 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.7 p90 . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -143.28 172.97 12.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.542 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.621 ' HB ' ' HB3' ' A' ' 9' ' ' GLN . 81.1 p -85.84 170.47 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -172.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 m -52.43 -45.81 66.14 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.032 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.432 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 46.9 mm -61.94 -47.18 94.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.625 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 9.5 mm-40 -55.86 -46.02 78.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.016 176.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.8 tp -65.09 -44.57 88.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.8 mt -52.59 -51.86 57.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.755 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 19.8 mm-40 -65.14 -38.18 89.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.151 -174.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 3.7 ptpp? -79.76 -33.18 40.88 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.251 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.99 -45.91 92.91 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HG2' ' HG ' ' A' ' 55' ' ' LEU . 9.1 mtpp -57.3 -46.03 83.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.255 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.99 -48.64 78.83 Favored Glycine 0 C--O 1.237 0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.5 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 7.4 mm-40 -73.82 -18.71 60.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.704 0.287 . . . . 0.0 111.284 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.4 tp -82.93 -37.29 24.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.707 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -78.46 -16.69 57.29 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.099 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -81.93 -7.08 59.58 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.279 0.561 . . . . 0.0 109.602 172.129 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.5 mt -94.07 138.4 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.814 175.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.44 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 16.1 m -69.6 150.19 47.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.815 0.341 . . . . 0.0 110.535 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.502 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 85.4 m-85 -68.95 -14.79 63.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.2 t -85.48 -12.91 50.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.512 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD2' ' HB2' ' A' ' 41' ' ' SER . 29.5 m-20 -95.29 -39.13 10.21 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.895 0.378 . . . . 0.0 110.564 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.687 HD11 ' HB2' ' A' ' 49' ' ' LEU . 3.6 pp -72.68 146.37 88.22 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.41 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.487 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 22.2 Cg_endo -61.64 158.81 35.26 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.872 2.381 . . . . 0.0 113.519 -176.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.461 HD12 ' OE1' ' A' ' 50' ' ' GLN . 43.1 tp -52.42 -34.12 47.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.761 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -51.17 -47.76 62.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.687 ' HB2' HD11 ' A' ' 45' ' ' LEU . 24.1 mt -78.69 -15.31 58.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.547 -174.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.461 ' OE1' HD12 ' A' ' 47' ' ' LEU . 74.3 mt-30 -76.15 -33.11 59.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.032 0.444 . . . . 0.0 109.975 177.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -87.43 -23.3 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.045 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.41 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 96.2 mt -76.86 106.38 8.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.969 0.414 . . . . 0.0 109.927 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.91 -24.18 64.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.542 -173.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.6 m -100.08 129.65 46.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.276 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.575 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 17.7 tp -63.02 -46.05 86.84 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.536 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.7 Cg_endo -55.33 -39.14 92.64 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 121.939 1.759 . . . . 0.0 112.451 175.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.54 86.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.872 0.367 . . . . 0.0 110.793 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.518 ' HB3' HD23 ' A' ' 49' ' ' LEU . 77.0 mt-30 -62.97 -53.86 47.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.339 177.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.57 95.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.341 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.1 -36.58 84.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.45 -39.02 89.33 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.126 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.81 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.1 mt -59.47 -51.0 71.75 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.267 177.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.79 -48.97 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.567 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.7 -50.68 71.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.709 -175.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.9 t -164.87 78.99 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.784 0.802 . . . . 0.0 111.687 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.81 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 51.4 m -150.65 -174.97 4.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.609 169.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.2 m -101.64 -147.55 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.33 164.07 13.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.77 0.319 . . . . 0.0 110.519 -174.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.6 tp -121.55 117.29 26.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.197 -172.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -74.08 114.87 12.91 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 171.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 36' ' ' GLU . 10.2 m -110.98 23.38 4.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.106 0.479 . . . . 0.0 111.736 -172.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.97 174.34 50.3 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.998 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.18 18.21 11.13 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.179 0.592 . . . . 0.0 111.742 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.21 13.74 79.44 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.472 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 71' ' ' VAL . 34.1 ttpt -108.48 123.41 48.83 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.115 0.483 . . . . 0.0 110.387 -177.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -93.58 136.8 33.5 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.05 111.77 23.7 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.551 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . 5.7 tp-100 -116.86 131.39 56.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.903 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -128.41 129.47 46.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.176 0.512 . . . . 0.0 110.105 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.513 ' HD1' HD22 ' A' ' 15' ' ' LEU . 9.5 m-85 -105.82 123.13 47.45 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.679 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.67 111.22 13.22 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 171.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.319 -0.725 0 CA-C-O 121.448 0.642 . . . . 0.0 110.416 -176.769 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 . . . . . 0 N--CA 1.449 -0.524 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -110.93 -158.79 0.66 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -111.93 136.77 50.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.469 0.652 . . . . 0.0 111.976 -171.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -117.2 123.96 47.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.27 174.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.8 t -86.39 113.58 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.415 HG22 HD12 ' A' ' 29' ' ' LEU . 65.7 t -109.5 125.13 66.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.731 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.3 mt -96.35 113.81 25.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.594 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.137 -175.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 p90 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -147.71 167.99 23.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.095 -178.618 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 p -81.92 168.2 18.15 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -48.4 -52.19 23.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.488 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -60.79 -44.04 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.407 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' A' ' 24' ' ' LEU . 4.2 mm-40 -65.92 -41.14 91.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 -177.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.415 HD12 HG22 ' A' ' 14' ' ' VAL . 66.3 tp -63.18 -40.9 98.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.495 178.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -56.82 -52.57 64.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.133 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.572 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 65.6 mm-40 -65.83 -31.07 71.82 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.56 -178.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -68.25 -49.48 60.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.643 0.258 . . . . 0.0 110.355 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.3 mt -58.08 -49.26 77.54 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.399 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.572 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 9.2 ptmm? -64.58 -22.38 66.96 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -177.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.624 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -84.22 -45.35 6.26 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.319 -0.944 . . . . 0.0 111.196 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 20.6 tp10 -64.01 -29.83 70.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.495 0.664 . . . . 0.0 109.762 177.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 tp -75.25 -40.35 58.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.625 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.624 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -72.9 -14.11 61.41 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.948 0.404 . . . . 0.0 110.86 -179.459 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 50.9 mtpt -65.8 -28.53 69.08 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.68 0.753 . . . . 0.0 109.962 169.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.5 mt -84.8 144.9 8.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.973 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -66.91 147.6 53.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.843 0.354 . . . . 0.0 110.702 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.418 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 79.7 m-85 -64.2 -26.85 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -172.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -95.69 -4.25 44.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.035 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -93.25 -32.4 14.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.103 0.478 . . . . 0.0 110.319 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.604 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.3 pp -73.4 164.94 57.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.793 178.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.526 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 97.7 Cg_exo -46.83 147.11 5.0 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.461 2.774 . . . . 0.0 113.704 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -43.58 96.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.49 -176.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.67 -38.73 75.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.56 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.604 ' HB2' HD13 ' A' ' 45' ' ' LEU . 31.4 mt -70.34 -29.94 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.243 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 42' ' ' PHE . 78.3 mt-30 -64.1 -35.06 79.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.321 177.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -81.89 -21.15 37.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.428 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 95.5 mt -76.21 105.75 7.43 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -69.79 -21.37 63.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.25 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.8 p -103.05 130.05 50.04 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.048 0.451 . . . . 0.0 110.607 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.596 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 36.8 tp -61.98 -46.59 91.98 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.855 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.5 Cg_endo -53.09 -36.02 74.86 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.261 1.974 . . . . 0.0 113.054 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.86 -36.6 78.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 110.965 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.428 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 74.5 mt-30 -60.94 -50.15 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.965 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.415 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -67.25 -34.56 77.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.835 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -66.12 -40.05 90.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.653 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -62.86 -36.9 84.8 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.676 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 96.4 mt -58.9 -51.77 68.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.585 175.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.01 -39.45 85.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.284 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.38 -67.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.627 -175.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.2 47.17 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.676 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 45.9 m -117.52 -177.73 3.3 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.979 178.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.5 p -102.91 -147.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.543 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -94.14 161.76 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 111.137 -173.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.4 tp -118.21 113.98 22.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.286 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.24 129.36 34.56 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.473 HG12 ' HG3' ' A' ' 36' ' ' GLU . 17.0 m -130.15 15.61 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.26 0.466 . . . . 0.0 112.26 -171.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.51 -155.18 52.89 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.792 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 58.9 16.48 4.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 122.923 0.489 . . . . 0.0 111.52 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.21 18.31 79.76 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.424 -177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.4 ' HE3' HG23 ' A' ' 71' ' ' VAL . 57.5 pttt -130.51 148.17 52.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.301 0.572 . . . . 0.0 111.03 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.86 131.03 56.98 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.3 tp -91.29 110.97 22.27 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -120.44 141.65 49.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.619 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -147.87 139.85 24.11 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -133.43 129.44 37.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.15 0.5 . . . . 0.0 110.349 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.12 134.72 44.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.064 -177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.9 m . . . . . 0 C--N 1.32 -0.713 0 CA-C-O 121.249 0.547 . . . . 0.0 110.107 175.245 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.652 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 14.7 mm100 . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -74.46 152.73 39.4 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.42 ' H ' HD21 ' A' ' 11' ' ' ASN . 0.0 OUTLIER -106.12 116.88 32.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.68 0.752 . . . . 0.0 109.344 176.784 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -100.56 132.11 46.12 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.311 -174.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.4 t -86.43 104.61 13.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.461 HG22 HD12 ' A' ' 29' ' ' LEU . 61.0 t -111.35 134.47 53.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.338 -176.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.6 mt -117.04 128.19 54.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.033 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 121.386 0.612 . . . . 0.0 111.773 178.705 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.6 p90 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 24' ' ' LEU . 1.8 pt? -151.52 163.14 39.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.484 176.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p -79.99 167.74 20.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.317 0.579 . . . . 0.0 112.031 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.652 ' HB ' ' NE2' ' A' ' 9' ' ' GLN . 10.9 m -49.07 -43.66 41.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.873 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 49.0 mm -67.3 -40.11 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.51 -40.59 70.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.783 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.461 HD12 HG22 ' A' ' 14' ' ' VAL . 45.7 tp -62.13 -37.04 83.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.018 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 18.3 mt -54.42 -58.07 8.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.456 173.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.494 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 4.4 mm-40 -56.87 -40.02 75.42 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.072 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -65.02 -47.74 76.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.826 0.346 . . . . 0.0 110.688 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.4 ' HA ' HD21 ' A' ' 33' ' ' LEU . 50.2 mt -67.41 -48.24 67.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.866 -177.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 10.0 ptmm? -64.52 -26.72 68.55 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.28 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -71.71 -44.55 48.17 Favored Glycine 0 C--O 1.238 0.362 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.006 177.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.586 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 27.4 mt-10 -80.48 -18.64 48.03 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.961 -0.729 . . . . 0.0 110.385 179.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -76.49 -37.97 55.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.629 174.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 12.4 pt-20 -70.66 -30.93 67.68 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.911 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.586 ' HG2' ' HA ' ' A' ' 36' ' ' GLU . 7.8 ptpp? -79.7 -12.36 59.81 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.005 175.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.445 HD11 ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -81.89 143.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.53 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 m -68.61 144.02 54.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.066 0.46 . . . . 0.0 111.228 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -68.83 -16.72 63.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.595 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 p -90.53 -5.2 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.295 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.8 -27.57 8.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.619 -174.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 49' ' ' LEU . 3.0 pp -72.86 154.37 91.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 176.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.505 ' HD2' HD13 ' A' ' 49' ' ' LEU . 71.9 Cg_exo -51.19 147.84 19.69 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.188 2.592 . . . . 0.0 113.606 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.81 -33.26 72.74 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.289 -176.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -57.55 -38.09 74.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.918 0.39 . . . . 0.0 110.498 177.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.56 ' HB2' HD11 ' A' ' 45' ' ' LEU . 24.5 mt -73.24 -31.55 64.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.274 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -63.94 -29.15 70.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.523 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -83.08 -28.02 29.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.869 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -74.99 109.15 8.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.134 0.493 . . . . 0.0 110.721 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.46 -28.55 67.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.261 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 m -94.97 130.02 41.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.933 0.397 . . . . 0.0 111.202 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.556 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 40.6 tp -61.39 -47.7 92.98 Favored Pre-proline 0 CA--C 1.542 0.663 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.975 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.4 Cg_endo -56.06 -38.32 94.97 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.123 1.882 . . . . 0.0 112.617 177.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.0 94.61 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.918 0.39 . . . . 0.0 110.833 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 55' ' ' LEU . 46.3 mt-30 -60.83 -50.41 73.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.027 177.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.95 89.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -65.6 -41.39 92.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.059 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -55.7 -38.49 69.76 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.074 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.525 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.0 mt -63.2 -58.25 7.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.079 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 89.5 mt -49.79 -37.71 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.612 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.24 -55.22 6.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.58 -172.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.1 t -144.1 -0.37 1.01 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.525 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 39.5 m -125.26 124.8 42.45 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.396 -0.815 . . . . 0.0 112.14 -175.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 67.3 m -131.52 100.12 5.04 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.947 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 67' ' ' CYS . 7.6 mm-40 -173.91 118.28 0.26 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.159 175.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.6 tp -151.96 110.77 3.83 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.267 0.556 . . . . 0.0 111.382 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -88.55 95.5 10.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.119 173.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.447 HG22 ' HE3' ' A' ' 75' ' ' LYS . 30.2 m -87.32 -19.39 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.587 -175.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 73.72 -151.99 45.33 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.032 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 60.68 13.28 4.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.773 0.429 . . . . 0.0 111.896 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.67 5.03 88.64 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.757 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HE3' HG22 ' A' ' 71' ' ' VAL . 48.1 pttt -121.14 168.97 10.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.367 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -137.46 139.88 40.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.529 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 tp -115.97 128.3 55.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.381 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.26 159.23 42.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.93 174.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.479 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 24.3 p90 -144.87 136.72 25.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.083 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -101.87 98.29 8.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.769 0.795 . . . . 0.0 109.707 173.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.48 118.29 12.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.388 -175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 121.361 0.601 . . . . 0.0 110.537 177.067 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.5 pm0 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.01 -179.15 5.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.8 0.334 . . . . 0.0 111.053 -178.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -142.1 152.26 43.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.089 0.471 . . . . 0.0 110.998 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -130.37 153.9 48.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.372 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -89.37 117.28 32.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.321 0.581 . . . . 0.0 109.714 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -99.71 120.39 49.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.778 -174.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt -107.08 116.2 31.52 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.334 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 . . . . . 0 C--N 1.322 -0.613 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.3 p90 . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.943 0.402 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 pp -138.19 163.22 32.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.623 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.64 169.3 17.82 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.47 -53.55 36.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.75 -175.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 mm -59.79 -41.56 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.272 0.558 . . . . 0.0 110.896 -175.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -60.75 -44.02 97.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.427 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.1 tp -68.04 -36.84 80.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.216 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.2 mt -55.44 -57.45 11.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.191 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.48 -29.59 70.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.416 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -67.9 -50.44 56.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.74 -45.15 94.05 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.36 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -51.66 -46.46 63.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.54 -44.73 57.09 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.807 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' HD13 ' A' ' 40' ' ' ILE . 44.5 mt-10 -75.55 -19.08 59.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.977 0.418 . . . . 0.0 110.942 -177.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' ' 58' ' ' GLN . 60.9 tp -81.27 -42.57 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.827 176.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.39 -24.5 64.78 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.247 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HB2' ' HE2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -83.13 -10.76 58.48 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.805 175.71 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.566 HG22 HD21 ' A' ' 45' ' ' LEU . 1.1 mp -81.86 141.91 14.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 m -70.35 143.25 52.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.73 0.3 . . . . 0.0 110.835 -177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.53 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 88.2 m-85 -65.35 -20.33 66.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.173 0.511 . . . . 0.0 110.701 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -75.9 -17.08 59.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.77 177.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -103.25 -33.17 9.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.933 -174.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.566 HD21 HG22 ' A' ' 40' ' ' ILE . 3.9 pp -78.17 147.82 73.59 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.406 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.584 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 19.6 Cg_endo -58.4 156.05 32.81 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 123.049 2.499 . . . . 0.0 113.411 -176.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' HG ' ' HE2' ' A' ' 51' ' ' LYS . 64.7 tp -61.5 -27.89 68.91 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.225 -177.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -57.03 -42.6 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.584 ' HG ' ' HG2' ' A' ' 46' ' ' PRO . 44.8 mt -75.48 -27.31 58.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.276 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -67.92 -29.95 69.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.589 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.43 ' HE2' ' HG ' ' A' ' 47' ' ' LEU . 68.1 mttm -81.61 -33.62 31.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.948 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.34 111.64 3.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.15 0.5 . . . . 0.0 110.246 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -73.29 -15.31 61.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.321 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 p -111.13 128.49 55.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.095 0.474 . . . . 0.0 111.388 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.585 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 54.0 tp -57.53 -46.9 99.74 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.939 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.3 Cg_endo -53.41 -41.91 69.5 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.304 2.003 . . . . 0.0 112.824 176.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.01 81.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.64 0.257 . . . . 0.0 110.856 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' HB3' HD22 ' A' ' 37' ' ' LEU . 80.2 mt-30 -59.54 -54.78 42.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.459 176.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.82 -37.8 88.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.047 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.24 -42.83 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.555 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 37.3 t60 -67.74 -32.39 72.97 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.19 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 59' ' ' ALA . 92.4 mt -59.18 -46.37 88.57 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 173.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.7 mt -61.63 -37.32 77.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.994 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.555 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 57.5 m-20 -59.28 -39.03 81.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.064 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 66' ' ' SER . 1.8 t -106.76 -79.03 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.806 -0.357 . . . . 0.0 111.513 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.441 ' H ' HG23 ' A' ' 65' ' ' THR . 18.0 m 162.28 173.37 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.199 1.4 . . . . 0.0 108.184 -171.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.41 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 48.1 t 179.72 154.0 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -110.41 117.5 33.76 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.1 tp -118.0 116.34 26.7 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.835 -170.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -81.29 115.69 20.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 169.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 75' ' ' LYS . 12.6 m -85.88 7.36 2.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.906 0.384 . . . . 0.0 111.772 -172.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.01 -36.55 3.79 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.018 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.45 21.85 2.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.878 0.37 . . . . 0.0 111.384 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.34 -3.43 77.71 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.365 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . 39.9 mtmt -89.38 137.72 32.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -111.6 120.78 43.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.958 0.408 . . . . 0.0 110.031 178.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -89.32 117.02 27.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.411 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -129.3 141.03 51.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.899 178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.41 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 9.5 p90 -149.6 148.12 28.95 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -142.05 153.44 44.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 170.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.77 134.93 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.705 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 121.433 0.635 . . . . 0.0 110.731 177.752 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HG2' HG12 ' A' ' 27' ' ' ILE . 47.6 mt-30 . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 121.49 0.662 . . . . 0.0 112.404 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.491 ' O ' ' HA ' ' A' ' 25' ' ' THR . 5.2 t70 -115.52 -173.49 2.34 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 169.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.51 129.1 56.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.587 0.708 . . . . 0.0 111.451 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.509 ' HE2' ' HG1' ' A' ' 26' ' ' THR . 96.9 m-85 -128.44 134.78 48.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.839 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.551 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . 7.6 p -86.68 119.78 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.442 0.639 . . . . 0.0 109.744 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.418 ' CG2' HD13 ' A' ' 29' ' ' LEU . 58.2 t -107.31 114.87 47.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.727 -175.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.1 mt -91.36 101.99 14.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.733 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.737 -179.558 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 29.0 p90 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.041 0.448 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.32 172.57 7.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.803 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 9.9 p -81.79 161.55 23.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.205 0.526 . . . . 0.0 112.299 -174.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.509 ' HG1' ' HE2' ' A' ' 12' ' ' PHE . 14.6 m -53.93 -44.63 70.77 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.111 -174.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.434 HG12 ' HG2' ' A' ' 9' ' ' GLN . 38.2 mm -67.05 -39.36 83.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.95 0.405 . . . . 0.0 110.809 -177.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.09 -41.06 95.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.959 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD13 ' CG2' ' A' ' 14' ' ' VAL . 38.6 tp -63.51 -41.67 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.459 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -56.61 -51.51 68.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.495 -179.465 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.44 -34.09 77.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.585 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -62.48 -49.77 74.07 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 173.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.42 -42.51 96.17 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.232 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 56.4 mtpt -55.72 -53.13 60.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.622 0.249 . . . . 0.0 110.584 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.34 -43.22 95.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.495 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.545 ' O ' HD11 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -71.22 -19.57 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.677 0.275 . . . . 0.0 111.388 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 tp -86.33 -39.1 16.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.635 0.255 . . . . 0.0 110.933 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HB3' HD22 ' A' ' 55' ' ' LEU . 13.0 pt-20 -73.41 -20.0 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.637 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -80.02 -5.11 55.18 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.542 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.545 HD11 ' O ' ' A' ' 36' ' ' GLU . 1.7 mp -99.13 145.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 172.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.534 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 22.9 t -56.22 133.8 52.68 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.245 0.545 . . . . 0.0 110.957 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -69.59 -19.08 63.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.893 -175.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.1 p -93.88 -8.33 40.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 3.8 m-20 -115.62 -9.65 11.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.861 -172.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.631 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.1 pp -68.07 158.16 84.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.51 175.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' HD13 ' A' ' 49' ' ' LEU . 84.5 Cg_exo -44.06 143.38 3.32 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.559 2.839 . . . . 0.0 114.233 -175.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.31 -29.93 67.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.983 -176.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.2 -35.2 79.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.401 0.62 . . . . 0.0 110.672 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.631 ' HB2' HD13 ' A' ' 45' ' ' LEU . 28.9 mt -75.83 -20.5 58.12 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.683 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -76.81 -25.57 53.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.177 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -72.32 -34.83 68.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.244 0.545 . . . . 0.0 110.023 174.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 43.1 mt -79.7 137.68 37.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.266 175.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -85.08 -37.78 19.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.955 0.407 . . . . 0.0 111.209 -173.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 8.7 t -102.7 144.25 31.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -173.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 25.5 tp -62.79 -50.46 77.53 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.243 -177.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.9 Cg_endo -55.32 -39.22 92.19 Favored 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 122.102 1.868 . . . . 0.0 112.26 177.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.38 83.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.397 . . . . 0.0 110.687 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.507 ' HB3' HD23 ' A' ' 49' ' ' LEU . 78.3 mt-30 -62.24 -51.56 67.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.655 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.53 86.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.26 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -45.64 83.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.193 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -62.45 -26.53 68.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.8 -50.72 67.87 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.2 mt -56.03 -32.46 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.528 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -68.98 -70.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.73 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -103.74 -41.28 5.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 m -127.46 124.99 39.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -164.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.401 ' HA ' ' CZ2' ' A' ' 79' ' ' TRP . 13.8 p -114.48 101.24 8.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.423 . . . . 0.0 109.895 175.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.6 125.17 0.38 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.185 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.0 tp -167.67 131.82 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 2.1 p30 -110.33 148.05 32.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 168.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.483 ' HA ' HD13 ' A' ' 40' ' ' ILE . 27.0 m -119.92 19.6 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.831 -171.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.68 -172.2 32.45 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.247 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.02 97.93 5.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.965 0.412 . . . . 0.0 110.705 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.22 3.15 56.73 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.698 -0.683 . . . . 0.0 113.02 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -131.74 140.98 49.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.228 0.537 . . . . 0.0 111.059 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 70' ' ' ASP . 35.9 p90 -137.94 170.27 16.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.784 -175.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 36' ' ' GLU . 31.9 tp -136.6 112.22 9.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.588 177.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -132.06 139.74 48.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.021 0.438 . . . . 0.0 111.121 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.401 ' CZ2' ' HA ' ' A' ' 67' ' ' CYS . 18.3 p90 -135.85 146.81 47.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.691 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -140.25 151.2 44.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.857 0.36 . . . . 0.0 110.467 175.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.18 118.11 15.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.565 -174.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.499 174.689 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.51 ' HB2' ' HB ' ' A' ' 26' ' ' THR . 19.4 pm0 . . . . . 0 N--CA 1.447 -0.611 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.11 -177.37 6.42 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.972 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -121.25 134.32 55.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.444 0.64 . . . . 0.0 110.826 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.57 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 9.4 m-85 -109.03 138.11 45.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.939 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.8 m -89.63 100.08 10.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 172.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG23 HD13 ' A' ' 29' ' ' LEU . 91.4 t -92.72 114.07 28.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.699 -174.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.8 mt -97.99 110.69 23.22 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.334 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 C--N 1.318 -0.795 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.506 178.503 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.8 p90 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.78 159.77 43.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.886 178.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.435 ' HB ' ' HG3' ' A' ' 9' ' ' GLN . 35.7 p -76.78 162.35 27.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.805 0.336 . . . . 0.0 111.621 -176.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' A' ' 9' ' ' GLN . 5.4 m -50.82 -41.51 57.58 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.198 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.4 -43.73 97.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.749 0.309 . . . . 0.0 110.629 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.48 -43.15 98.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.491 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.428 HD13 HG23 ' A' ' 14' ' ' VAL . 65.4 tp -63.92 -39.06 93.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.758 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -58.4 -49.95 75.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.73 -33.17 70.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.746 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HG2' ' OE1' ' A' ' 36' ' ' GLU . 64.5 tttm -64.12 -52.5 58.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.908 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.7 mt -56.36 -44.49 80.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.243 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 8.3 mtmp? -55.51 -49.93 71.28 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.321 -178.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.28 -43.97 97.68 Favored Glycine 0 C--O 1.235 0.217 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.487 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 48.2 mt-10 -71.38 -33.03 69.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.743 0.306 . . . . 0.0 110.682 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.9 tp -72.55 -42.72 64.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.952 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 8.6 pt-20 -71.51 -20.71 62.01 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.454 -177.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 19.7 pttp -89.9 3.59 52.55 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.981 0.42 . . . . 0.0 110.398 175.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mp -93.15 145.52 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -68.39 137.31 54.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.675 0.274 . . . . 0.0 110.341 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -57.98 -27.62 63.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.425 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 m -67.14 -27.54 67.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.224 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -86.96 -34.94 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.803 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 pp -76.43 151.03 82.96 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.557 0.218 . . . . 0.0 111.166 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.539 ' HD2' HD12 ' A' ' 49' ' ' LEU . 93.0 Cg_exo -45.94 148.8 2.54 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.967 3.112 . . . . 0.0 114.22 -178.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.8 -38.23 87.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.529 -176.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -66.22 -30.21 70.62 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.632 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.539 HD12 ' HD2' ' A' ' 46' ' ' PRO . 36.9 mt -73.42 -28.23 61.87 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 176.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.39 -29.06 68.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.055 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -76.71 -32.74 58.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.568 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.65 109.42 9.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.604 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -76.2 -20.44 57.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.878 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -90.92 125.62 35.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.221 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.567 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 19.6 tp -63.9 -47.86 79.85 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.635 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 15.1 Cg_endo -56.31 -34.27 93.48 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.179 1.919 . . . . 0.0 112.319 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.47 92.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.706 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -64.8 -49.88 68.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.404 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.35 96.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.957 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' HG2' HD23 ' A' ' 30' ' ' LEU . 3.7 mm-40 -60.77 -43.74 97.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 176.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -55.97 -46.4 78.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.182 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -55.22 -53.73 52.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.826 178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.537 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 80.7 mt -55.04 -39.7 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.706 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -84.43 -16.75 41.52 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -174.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.7 p -105.23 -63.87 1.19 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 m -154.47 159.78 41.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.879 0.371 . . . . 0.0 111.839 -172.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 78' ' ' GLN . 11.7 t -102.53 104.08 14.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.892 175.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -171.64 117.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.701 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.4 tp -166.76 135.34 2.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.881 0.372 . . . . 0.0 110.661 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -98.1 112.83 24.65 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 172.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 75' ' ' LYS . 18.9 m -91.3 19.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.855 0.36 . . . . 0.0 111.715 -172.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 74.15 174.82 31.73 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.351 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.89 14.93 8.74 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.042 0.537 . . . . 0.0 111.665 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.39 18.37 66.69 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.085 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 71' ' ' VAL . 43.7 mtmt -108.76 143.8 37.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.022 0.439 . . . . 0.0 110.776 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -108.59 157.63 18.32 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.4 tp -129.4 118.26 21.9 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.467 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.446 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 26.0 mt-30 -113.52 130.77 56.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.644 171.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.537 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 24.8 p90 -137.99 122.31 18.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.208 0.528 . . . . 0.0 109.902 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -141.34 131.95 25.53 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.188 0.518 . . . . 0.0 110.329 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.57 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . . . -75.71 135.07 40.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.777 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.318 -0.793 0 CA-C-O 122.112 0.958 . . . . 0.0 109.594 177.844 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.469 ' HG2' HG21 ' A' ' 25' ' ' THR . 34.3 tt0 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.234 0.54 . . . . 0.0 109.869 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -112.24 176.99 4.79 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.539 -176.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -108.65 135.93 49.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.045 0.45 . . . . 0.0 110.891 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.11 134.45 53.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.959 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.9 t -87.75 107.33 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.489 HG23 HD13 ' A' ' 29' ' ' LEU . 43.4 t -100.89 104.24 15.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.073 0.463 . . . . 0.0 110.267 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.444 ' HB2' ' HE2' ' A' ' 80' ' ' TYR . 74.8 mt -93.13 102.24 14.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.043 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.9 p90 . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.446 HD22 ' N ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -140.58 163.16 33.6 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.05 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.469 HG21 ' HG2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -80.55 170.45 16.33 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.602 -173.565 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 m -51.65 -49.16 62.86 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -173.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 mm -67.11 -46.18 85.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.961 0.41 . . . . 0.0 111.297 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -63.05 -36.86 84.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.008 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.489 HD13 HG23 ' A' ' 14' ' ' VAL . 47.5 tp -66.51 -38.05 86.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.395 175.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -46.47 87.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.569 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 34' ' ' LYS . 36.9 mt-10 -66.97 -35.49 80.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.587 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -67.15 -48.33 68.36 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.216 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.3 mt -64.79 -39.07 93.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.624 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 31' ' ' GLU . 14.1 ptmm? -66.18 -27.21 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.605 -178.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -75.08 -50.62 8.35 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.583 -0.817 . . . . 0.0 111.696 175.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' HD12 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -59.85 -39.76 86.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 177.691 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.87 -41.32 74.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.444 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 15.7 pt-20 -71.89 -21.64 61.61 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.356 -175.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -88.43 -4.87 58.56 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.654 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -93.47 143.05 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 174.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.04 141.09 57.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.559 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 91.0 m-85 -63.39 -29.22 70.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.976 -178.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 p -71.31 -14.74 62.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.509 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.17 -39.31 10.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.449 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.705 HD12 ' HB2' ' A' ' 49' ' ' LEU . 4.0 pp -74.23 156.49 87.46 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.869 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.595 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 17.1 Cg_endo -58.41 149.55 73.71 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.034 2.489 . . . . 0.0 113.147 -177.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.52 -30.3 71.18 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.305 -173.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 52.6 mm-40 -60.04 -33.85 72.6 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.175 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.705 ' HB2' HD12 ' A' ' 45' ' ' LEU . 42.1 mt -70.33 -33.96 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.008 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.87 -27.31 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 110.506 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -80.24 -27.21 38.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 78.2 mt -77.02 123.53 26.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.189 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.27 -37.09 74.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.863 -174.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 28.2 m -100.37 137.9 38.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 -175.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.564 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -61.22 -47.6 93.98 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.472 176.382 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 7.4 Cg_endo -50.72 -39.75 56.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.008 1.806 . . . . 0.0 111.89 174.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -42.8 91.04 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.458 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.469 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 77.6 mt-30 -59.68 -55.52 33.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.212 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.3 -33.96 75.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.458 -176.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -64.56 -40.95 96.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.645 177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -68.12 -29.59 68.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.667 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.521 HD21 HD11 ' A' ' 49' ' ' LEU . 95.8 mt -61.78 -50.36 72.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.096 174.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.64 -38.74 79.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.756 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.87 -43.14 99.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.888 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.665 ' O ' ' HB2' ' A' ' 66' ' ' SER . 20.9 p -96.9 -81.53 0.42 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.665 ' HB2' ' O ' ' A' ' 65' ' ' THR . 1.9 t 149.91 169.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.281 1.432 . . . . 0.0 108.041 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.456 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 46.3 t -173.54 147.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.808 0.337 . . . . 0.0 110.489 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.82 117.08 31.33 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 172.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.3 tp -127.19 134.0 50.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.057 -170.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 3.4 p-10 -101.15 135.93 41.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 171.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.6 m -103.12 16.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.202 -173.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.63 145.21 16.14 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.768 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.41 28.33 13.6 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.066 0.547 . . . . 0.0 111.65 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.2 0.2 90.06 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.115 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -83.69 128.52 34.59 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 70' ' ' ASP . 42.7 m-85 -107.99 147.98 30.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.251 0.548 . . . . 0.0 111.21 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.3 tp -118.24 124.93 49.07 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.797 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -137.51 130.23 30.05 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.456 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 29.0 p90 -108.12 128.99 55.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.211 0.529 . . . . 0.0 109.751 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.444 ' HE2' ' HB2' ' A' ' 15' ' ' LEU . 87.5 m-85 -102.35 110.44 22.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.651 -177.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.92 110.48 15.34 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 170.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.318 -0.777 0 CA-C-O 121.435 0.636 . . . . 0.0 110.568 -174.846 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.945 0.402 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -86.84 176.53 7.65 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.511 HD21 ' H ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -122.87 135.47 54.53 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.237 0.541 . . . . 0.0 110.413 -178.116 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -125.21 136.0 53.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.104 -175.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -87.31 105.21 14.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.575 0.702 . . . . 0.0 109.999 177.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.426 HG22 HD11 ' A' ' 29' ' ' LEU . 72.0 t -88.0 133.18 31.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.141 -176.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.9 mt -119.39 107.2 13.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.505 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.13 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.0 p90 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.155 0.502 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.475 HD13 HD11 ' A' ' 29' ' ' LEU . 13.2 mt -113.31 149.06 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.824 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.18 175.15 9.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 170.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -54.69 -43.74 72.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -71.52 -46.94 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 110.862 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -57.36 -40.81 78.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.191 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.475 HD11 HD13 ' A' ' 24' ' ' LEU . 29.9 tp -72.85 -35.94 67.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.378 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 12.3 mt -55.64 -57.08 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.828 175.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 41.8 mt-10 -62.32 -30.42 71.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.354 -177.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -67.99 -48.5 65.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.901 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.87 -39.27 90.55 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.362 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 9.7 mtpm? -57.42 -44.48 84.64 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.505 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -73.76 -42.46 38.82 Favored Glycine 0 C--O 1.238 0.353 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.245 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -58.56 -43.89 89.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.881 -0.659 . . . . 0.0 109.938 177.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.2 tp -70.6 -42.23 71.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.894 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.505 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.0 pt-20 -69.01 -23.14 64.05 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.688 -174.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -92.89 2.08 56.96 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.245 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mp -86.15 145.57 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 170.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 m -59.3 128.17 35.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.843 0.354 . . . . 0.0 110.765 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -68.54 -16.96 64.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.985 0.422 . . . . 0.0 110.896 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -95.42 10.15 37.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.799 175.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -114.69 -33.33 5.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' A' ' 49' ' ' LEU . 3.0 pp -65.63 151.72 94.09 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.483 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.15 158.77 8.76 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.568 2.845 . . . . 0.0 113.546 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.1 tp -66.9 -28.24 68.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.521 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -51.41 -44.36 62.23 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.304 0.573 . . . . 0.0 110.633 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.666 ' HB2' HD12 ' A' ' 45' ' ' LEU . 37.4 mt -77.97 -21.07 51.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.425 -176.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -78.05 -25.05 47.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.011 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.69 -34.6 40.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.246 0.546 . . . . 0.0 109.835 175.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.0 mt -73.36 140.47 46.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.245 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -100.14 -27.98 13.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.038 -177.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -93.58 131.51 38.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.933 0.397 . . . . 0.0 111.041 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HB3' ' HD3' ' A' ' 56' ' ' PRO . 52.8 tp -59.29 -45.62 99.14 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.502 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.479 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 31.4 Cg_exo -58.54 -40.17 76.56 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.817 1.678 . . . . 0.0 111.76 176.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.84 92.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.874 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.461 HE21 ' HA ' ' A' ' 55' ' ' LEU . 49.0 mt-30 -61.04 -49.94 75.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.559 177.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.25 94.73 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.147 0.499 . . . . 0.0 110.92 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.7 -41.11 98.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.394 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.509 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 71.8 t60 -67.06 -26.04 66.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.777 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.23 -62.57 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 173.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.6 mt -56.88 -35.19 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 110.397 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.509 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 23.2 t70 -60.16 -38.49 83.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.966 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.0 p -129.68 -66.22 0.81 Allowed 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -173.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.6 m -110.72 132.06 54.52 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -164.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.48 ' HA ' ' CZ2' ' A' ' 79' ' ' TRP . 43.8 t -101.64 102.25 12.91 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -172.55 118.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.445 -174.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.564 HD23 HD23 ' A' ' 77' ' ' LEU . 28.7 tp -166.37 110.69 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.194 0.521 . . . . 0.0 110.767 175.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -91.41 101.51 14.18 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.499 HG21 ' HE3' ' A' ' 75' ' ' LYS . 26.9 m -85.56 -1.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.847 -171.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.39 -161.56 54.19 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.357 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 60.95 12.0 3.65 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.776 0.43 . . . . 0.0 111.733 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.31 1.65 74.9 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.225 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.499 ' HE3' HG21 ' A' ' 71' ' ' VAL . 53.3 pttt -119.92 158.8 25.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.212 0.506 . . . . 0.0 111.216 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -119.43 170.8 8.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.081 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.564 HD23 HD23 ' A' ' 69' ' ' LEU . 58.2 tp -135.8 119.46 17.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.762 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -127.07 138.45 53.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.797 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.48 ' CZ2' ' HA ' ' A' ' 67' ' ' CYS . 38.5 p90 -140.74 126.61 19.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.06 0.457 . . . . 0.0 110.577 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -140.93 150.65 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.999 0.428 . . . . 0.0 110.554 175.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.5 142.86 29.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.438 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.318 -0.776 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.521 172.6 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.798 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 26.7 mt-30 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.815 0.341 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.551 ' O ' ' HA ' ' A' ' 25' ' ' THR . 12.3 p-10 -87.43 171.42 10.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.797 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.512 HD21 ' H ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -106.74 140.62 39.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.327 0.584 . . . . 0.0 111.996 -171.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.403 ' CE2' ' HB2' ' A' ' 81' ' ' ALA . 77.0 m-85 -122.24 136.94 54.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.652 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -87.52 107.62 17.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -87.49 117.75 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.39 0.614 . . . . 0.0 110.998 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.2 mt -108.41 101.92 11.07 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.72 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 C--N 1.318 -0.773 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 171.025 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.5 p90 . . . . . 0 N--CA 1.451 -0.415 0 CA-C-O 121.253 0.549 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.02 166.84 11.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.512 -177.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.798 ' HB ' ' HB3' ' A' ' 9' ' ' GLN . 44.7 p -84.86 171.51 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -173.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.84 -51.24 30.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.923 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.534 HD13 ' HG2' ' A' ' 9' ' ' GLN . 1.5 mp -63.94 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.317 -176.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.75 -43.05 76.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.604 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.1 tp -64.2 -38.34 90.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.627 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.47 -51.91 67.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.496 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -67.36 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.031 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.86 -50.74 69.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.931 0.396 . . . . 0.0 110.161 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.19 -39.42 94.6 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.933 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -57.75 -43.79 85.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.179 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.86 -46.59 91.3 Favored Glycine 0 C--O 1.236 0.267 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.526 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.549 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 29.2 mm-40 -68.57 -32.61 72.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 tp -71.23 -38.72 71.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.795 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -74.66 -15.09 60.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.881 0.372 . . . . 0.0 110.129 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.549 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -82.96 -14.47 54.02 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.032 0.444 . . . . 0.0 110.245 173.328 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.472 HD11 ' HG2' ' A' ' 39' ' ' LYS . 1.4 mp -93.24 141.01 15.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.415 178.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.65 153.06 40.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.165 -179.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -68.09 -25.5 65.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.284 0.564 . . . . 0.0 110.952 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 p -86.35 0.86 53.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.138 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.37 -21.26 10.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.335 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.548 ' HB2' HD13 ' A' ' 49' ' ' LEU . 3.5 pp -82.88 147.62 55.18 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.782 0.325 . . . . 0.0 111.119 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.486 ' HD2' HD13 ' A' ' 49' ' ' LEU . 52.7 Cg_exo -54.14 154.97 16.55 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.571 2.847 . . . . 0.0 113.45 -178.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.5 tp -61.63 -31.21 71.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.027 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -54.6 -41.12 69.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.309 0.576 . . . . 0.0 110.706 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 45' ' ' LEU . 34.2 mt -75.26 -16.31 60.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.54 -176.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -83.69 -21.31 32.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.285 0.564 . . . . 0.0 110.145 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -82.11 -26.87 33.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.153 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.3 mt -87.41 106.79 18.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.503 177.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.42 -6.38 49.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.701 -174.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -112.95 124.28 52.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.599 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.519 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 34.4 tp -55.77 -49.37 93.21 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.945 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.6 Cg_endo -57.36 -37.5 97.4 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.931 1.754 . . . . 0.0 112.472 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.71 78.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.895 0.378 . . . . 0.0 110.793 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.544 ' HB3' HD22 ' A' ' 49' ' ' LEU . 78.9 mt-30 -60.58 -51.39 69.6 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.153 176.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -65.81 -33.17 75.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.113 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.5 tm0? -65.64 -43.29 89.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -55.94 -38.18 69.98 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.148 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.45 ' HB3' ' CZ2' ' A' ' 79' ' ' TRP . 93.7 mt -60.82 -58.88 6.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.035 175.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.403 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 90.8 mt -49.92 -41.45 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.303 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.37 -59.8 3.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 t -133.65 -22.18 1.92 Allowed 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -168.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.3 m -121.34 123.95 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.393 -0.817 . . . . 0.0 111.462 -172.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 61.8 m -126.63 101.92 6.86 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.481 -176.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -173.97 138.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.766 173.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.7 tp -159.6 111.22 2.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.905 0.383 . . . . 0.0 110.975 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -79.05 104.66 9.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.411 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.503 HG23 ' HE3' ' A' ' 75' ' ' LYS . 15.8 m -100.64 19.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.513 -174.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.556 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 115.49 140.42 7.07 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.525 172.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 62.42 16.56 8.72 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.15 5.39 73.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.802 -0.714 . . . . 0.0 113.249 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 51.4 pttt -91.42 143.84 26.2 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.463 176.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -116.24 133.7 55.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.016 -175.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.409 HD23 ' HG3' ' A' ' 36' ' ' GLU . 34.3 tp -87.54 112.63 22.45 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 173.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -115.47 157.68 23.64 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.463 -173.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.45 ' CZ2' ' HB3' ' A' ' 62' ' ' LEU . 29.0 p90 -160.46 147.62 15.88 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.684 0.278 . . . . 0.0 110.53 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -140.99 147.45 38.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.961 170.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -86.93 114.02 23.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.061 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.476 0.655 . . . . 0.0 109.908 175.089 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.573 0.225 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.47 155.28 39.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.711 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -106.9 123.71 48.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.102 0.477 . . . . 0.0 110.36 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -113.55 134.05 54.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.92 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 23' ' ' PHE . 80.9 t -88.64 107.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.1 t -92.36 115.39 31.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.939 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.7 mt -91.05 105.4 17.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.246 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.975 -178.893 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.49 ' HB3' HG21 ' A' ' 13' ' ' VAL . 15.8 p90 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.973 0.416 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -115.14 165.24 13.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.176 -178.747 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.1 p -82.7 170.47 15.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.684 0.278 . . . . 0.0 111.306 -175.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 m -52.04 -42.7 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.664 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.0 mm -64.45 -44.33 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.189 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 4.6 mm-40 -66.45 -38.17 86.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.277 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.83 -41.75 99.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.205 176.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.7 mt -53.86 -50.61 65.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.991 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.36 -39.39 94.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.271 -176.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -63.22 -48.98 75.99 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.878 176.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.33 -47.68 84.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.761 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -59.74 -42.42 93.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.632 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.69 -51.11 59.71 Favored Glycine 0 C--O 1.237 0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.561 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -68.48 -35.59 77.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.905 0.383 . . . . 0.0 110.237 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -67.08 -39.4 86.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.516 -177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.46 -28.53 62.99 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.022 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' HZ1' ' HB2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -87.89 3.07 49.84 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.871 176.311 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.51 HG22 HD23 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -93.71 144.34 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 172.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.416 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 27.4 t -63.78 147.59 51.36 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.02 -21.74 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.548 -174.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.9 p -95.94 -6.03 40.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.155 0.502 . . . . 0.0 110.763 176.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.416 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 33.9 t70 -91.42 -25.05 19.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.143 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.738 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -88.7 151.39 47.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.75 177.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.507 ' HD2' HD11 ' A' ' 49' ' ' LEU . 52.0 Cg_exo -55.62 155.67 20.82 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.418 2.745 . . . . 0.0 113.597 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 56.6 tp -60.07 -30.26 69.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.194 -177.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -52.67 -45.49 66.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.43 0.633 . . . . 0.0 110.504 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.738 ' HB2' HD13 ' A' ' 45' ' ' LEU . 21.3 mt -80.85 -14.06 58.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.047 -175.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -80.76 -27.58 36.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.853 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 35.7 mmtp -78.41 -35.76 46.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.912 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 58' ' ' GLN . 76.1 mt -77.84 112.68 14.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.064 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.67 -43.31 94.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.417 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -96.1 126.17 41.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.535 -170.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 49.3 tp -52.18 -47.27 92.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.442 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.8 Cg_endo -53.53 -35.61 77.26 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 122.314 2.01 . . . . 0.0 112.611 176.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.76 -36.15 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.488 ' HB3' HD23 ' A' ' 49' ' ' LEU . 78.0 mt-30 -58.14 -54.8 42.83 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.624 178.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.5 -28.85 68.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.082 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.29 -40.48 81.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.29 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 31.2 t60 -68.67 -26.87 65.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.46 178.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.429 HD21 ' CB ' ' A' ' 67' ' ' CYS . 72.9 mt -60.15 -53.54 56.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 174.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.35 -33.67 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.236 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.502 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 12.3 t70 -55.76 -47.51 76.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.181 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.4 p -106.93 -76.54 0.61 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.416 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.9 p 162.37 163.23 0.02 OUTLIER 'General case' 0 C--O 1.232 0.182 0 C-N-CA 124.009 0.923 . . . . 0.0 108.947 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.483 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 45.9 t -171.26 144.07 1.97 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.933 0.396 . . . . 0.0 110.794 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -104.74 116.37 31.92 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.2 tp -125.49 124.25 40.95 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.726 -0.389 . . . . 0.0 111.691 -169.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.87 119.67 26.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 168.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.453 HG21 ' HG3' ' A' ' 75' ' ' LYS . 15.8 m -105.98 10.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -176.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.53 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 66.56 -166.8 38.28 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.987 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.05 17.32 10.04 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.985 0.514 . . . . 0.0 111.363 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.58 25.83 75.07 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.339 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 24.4 pttm -131.5 151.79 51.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.778 0.323 . . . . 0.0 110.486 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -110.57 159.58 17.42 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.4 tp -132.91 112.21 11.7 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -137.94 149.14 45.92 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.483 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 33.4 p90 -129.97 138.31 50.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.429 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -138.17 137.71 37.89 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 172.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.04 131.09 38.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.277 -175.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.507 0.67 . . . . 0.0 110.404 175.767 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -73.33 129.82 14.38 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.344 2.029 . . . . 0.0 112.096 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -87.85 155.82 52.8 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 172.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -47.7 -71.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.761 2.307 . . . . 0.0 112.361 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -178.38 179.06 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 71.0 mtm -89.78 -37.68 14.34 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.135 0.493 . . . . 0.0 110.122 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -85.65 47.16 1.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.208 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -62.18 -37.07 83.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.537 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.552 ' HA ' ' OG1' ' A' ' 26' ' ' THR . 23.5 mt-30 -92.85 103.88 16.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.077 -177.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.5 t70 -113.38 -160.06 0.71 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -105.98 116.2 31.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.245 0.545 . . . . 0.0 110.145 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.442 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 30.4 m-85 -104.44 127.2 52.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.687 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -86.59 100.12 9.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.533 ' HB ' HD21 ' A' ' 24' ' ' LEU . 86.0 t -94.07 123.62 46.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.827 -175.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.519 ' HB2' ' HG3' ' A' ' 78' ' ' GLN . 67.0 mt -101.28 102.27 13.11 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.108 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' HB3' ' H ' ' A' ' 19' ' ' GLN . 2.8 tm-20 -94.64 151.24 19.46 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 176.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.497 ' OG1' ' HB2' ' A' ' 75' ' ' LYS . 15.5 m -64.38 -23.14 67.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.137 0.494 . . . . 0.0 110.756 -178.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -99.42 -45.88 5.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.748 176.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.496 ' H ' ' HB3' ' A' ' 16' ' ' GLU . 10.1 mm100 -118.83 91.11 42.07 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-O 121.135 0.493 . . . . 0.0 112.111 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -83.87 159.58 13.94 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 123.653 2.902 . . . . 0.0 112.296 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER 56.56 74.72 0.39 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.897 175.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -134.64 138.16 44.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.913 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -101.07 114.48 28.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.105 0.479 . . . . 0.0 111.183 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.533 HD21 ' HB ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -140.87 157.66 45.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.483 176.814 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 42.4 p -81.42 172.85 13.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.698 -176.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.552 ' OG1' ' HA ' ' A' ' 9' ' ' GLN . 2.0 m -54.88 -38.55 67.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.852 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.24 -40.73 78.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 0.0 110.747 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 36.9 mt-10 -66.35 -39.65 89.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.141 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.53 -44.15 95.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.216 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.558 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -54.97 -49.33 71.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.587 177.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.19 -39.77 76.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.99 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -68.2 -46.11 71.52 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.432 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.04 -52.46 62.72 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.862 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 9.8 ptmm? -60.61 -24.08 65.22 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.914 -0.491 . . . . 0.0 111.489 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -75.45 -49.09 9.59 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.29 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.463 ' OE1' HG11 ' A' ' 71' ' ' VAL . 2.7 pp20? -72.5 -36.01 68.28 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.04 -0.682 . . . . 0.0 110.445 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 tp -65.64 -36.31 83.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 9.6 pt-20 -69.3 -29.61 67.51 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.254 -0.579 . . . . 0.0 109.787 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 67.0 mttm -71.6 -40.48 69.83 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.524 173.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 71' ' ' VAL . 1.4 mp -59.16 134.96 24.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.146 175.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.6 t -58.09 135.48 57.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 50' ' ' GLN . 32.1 t80 -68.4 -17.7 64.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.916 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.9 m -94.74 5.75 50.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.357 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -115.63 -26.43 7.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.031 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 49' ' ' LEU . 2.4 pp -78.54 160.9 71.48 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.475 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.499 ' HD2' HD12 ' A' ' 49' ' ' LEU . 72.3 Cg_exo -51.8 156.68 6.48 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.674 2.916 . . . . 0.0 113.84 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -70.17 -30.8 68.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.884 -174.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.28 -36.09 72.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.069 0.461 . . . . 0.0 110.394 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.69 ' HB2' HD11 ' A' ' 45' ' ' LEU . 37.6 mt -74.68 -23.24 58.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.293 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 51.9 mt-30 -80.13 -19.19 47.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.812 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -82.31 -30.25 30.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.231 0.538 . . . . 0.0 109.99 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.2 mt -76.3 143.51 40.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.933 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -105.82 -25.36 12.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.914 0.388 . . . . 0.0 110.537 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.6 m -90.93 136.17 33.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.977 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.522 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 62.1 tp -63.53 -50.72 71.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.29 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 12.4 Cg_endo -57.06 -34.66 98.11 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.015 1.81 . . . . 0.0 112.366 177.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.59 92.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.515 HE21 ' HA ' ' A' ' 55' ' ' LEU . 50.4 mt-30 -60.59 -55.96 27.03 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.617 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.68 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.012 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -63.53 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.672 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.549 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 65.4 t60 -71.82 -28.54 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.615 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 87.3 mt -61.78 -49.87 74.64 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.22 0.533 . . . . 0.0 110.03 173.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.56 -34.77 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.245 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.549 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 11.6 t70 -58.92 -58.71 7.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.19 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.8 t -162.34 77.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.916 0.865 . . . . 0.0 111.405 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.55 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 70.7 m -151.48 177.54 10.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.644 172.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.03 -148.19 0.39 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -95.46 164.43 12.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.714 0.292 . . . . 0.0 110.393 -175.461 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.04 162.17 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.07 0.462 . . . . 0.0 111.023 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.56 122.37 35.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.838 177.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.463 HG11 ' OE1' ' A' ' 36' ' ' GLU . 30.8 m -86.22 -3.07 8.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.405 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.71 177.83 29.58 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.497 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.28 13.49 8.0 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.008 0.523 . . . . 0.0 111.654 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.05 -18.79 56.05 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.497 ' HB2' ' OG1' ' A' ' 17' ' ' THR . 46.3 pttt -93.97 173.33 7.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.992 0.425 . . . . 0.0 110.683 -178.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -141.37 170.98 14.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -173.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 56.7 tp -135.82 118.62 16.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.312 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.519 ' HG3' ' HB2' ' A' ' 15' ' ' LEU . 10.3 pt20 -129.6 149.57 51.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.305 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -147.29 146.19 29.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.385 -176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -140.55 143.77 35.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.895 0.379 . . . . 0.0 109.987 174.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.512 ' HB2' ' HD3' ' A' ' 83' ' ' ARG . . . -98.58 129.7 45.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -178.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.1 m -89.06 103.84 14.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.32 0.581 . . . . 0.0 109.901 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.512 ' HD3' ' HB2' ' A' ' 81' ' ' ALA . 31.6 mmm-85 -124.19 145.35 49.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.147 -175.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.4 mt 57.94 88.56 0.06 Allowed 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.786 0.679 . . . . 0.0 111.694 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 89' ' ' HIS . 7.1 tp10 -82.09 67.39 8.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.646 0.736 . . . . 0.0 109.048 175.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -77.96 -13.1 60.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.091 -174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.9 tp -91.01 111.15 22.49 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 75.88 -23.57 0.24 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.915 0.759 . . . . 0.0 111.56 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.404 ' HA ' ' O ' ' A' ' 85' ' ' GLU . 28.5 m-70 62.96 69.34 0.59 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.476 0.655 . . . . 0.0 109.972 -174.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -97.38 127.14 43.08 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.14 -175.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -86.68 172.01 10.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.44 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -69.56 146.83 51.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.02 0.438 . . . . 0.0 111.321 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -58.81 -54.67 44.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.167 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 . . . . . 0 C--O 1.246 0.88 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.752 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.943 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 25.5 ttt . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 119.49 -0.29 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.943 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 6.0 Cg_exo -79.42 -69.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 121.824 1.683 . . . . 0.0 110.987 175.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -130.0 157.18 77.71 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -63.12 -164.84 0.05 OUTLIER 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.077 2.518 . . . . 0.0 112.97 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -50.07 143.94 7.51 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.323 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.867 ' HE1' ' HA ' ' A' ' 6' ' ' MET . 9.2 mmt -65.42 -28.55 69.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.841 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -88.95 44.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.626 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -82.25 55.9 3.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.667 0.746 . . . . 0.0 111.07 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -142.77 100.26 3.63 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.942 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -97.27 -167.04 1.47 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.251 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.413 HD21 HG22 ' A' ' 82' ' ' VAL . 10.7 t30 -113.9 123.31 49.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.137 0.494 . . . . 0.0 111.91 -170.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -120.6 140.33 51.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.619 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.416 HG23 ' CD1' ' A' ' 23' ' ' PHE . 84.9 t -102.33 107.54 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.501 HG22 HD22 ' A' ' 24' ' ' LEU . 81.6 t -94.47 127.89 46.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.297 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.3 mt -118.65 102.63 9.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.392 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -106.65 163.38 12.95 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.0 m -69.7 -24.16 63.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.293 0.568 . . . . 0.0 110.099 175.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -84.46 -48.98 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.944 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.23 107.62 9.5 Favored Pre-proline 0 C--O 1.234 0.275 0 CA-C-O 120.699 0.285 . . . . 0.0 110.904 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -85.8 169.07 9.32 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 123.207 2.605 . . . . 0.0 112.278 174.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 56.34 41.39 29.11 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.386 176.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.419 ' HG3' HD23 ' A' ' 24' ' ' LEU . 5.8 tp-100 -91.55 102.98 15.63 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 176.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.416 ' CD1' HG23 ' A' ' 13' ' ' VAL . 67.9 m-85 -92.64 101.77 14.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.552 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 1.7 pp -125.4 178.07 5.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.842 0.353 . . . . 0.0 111.522 -176.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.2 p -96.05 173.45 7.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.58 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 m -52.51 -43.27 64.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.799 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -66.96 -38.46 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.149 -176.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 40.8 mt-10 -71.96 -35.03 69.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.011 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.445 HD21 ' CD1' ' A' ' 79' ' ' TRP . 57.1 tp -63.26 -39.94 96.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.086 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.8 mt -54.86 -51.46 65.86 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.773 175.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -56.15 -42.19 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.151 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -62.59 -55.11 30.25 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.726 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD22 HD12 ' A' ' 62' ' ' LEU . 45.1 mt -57.35 -44.58 84.42 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -56.38 -51.45 68.27 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.439 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -66.2 -46.77 77.23 Favored Glycine 0 C--O 1.24 0.525 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.552 ' O ' HD11 ' A' ' 40' ' ' ILE . 5.3 mm-40 -69.96 -18.93 63.37 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 122.718 -0.284 . . . . 0.0 110.934 -178.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.2 tp -86.37 -42.75 13.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.84 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.4 pt-20 -64.84 -24.44 67.54 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.409 -177.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -81.3 -8.88 59.82 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.41 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -92.01 146.76 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 m -64.8 130.71 44.52 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 110.634 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -69.5 -10.93 60.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.459 -175.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 p -88.82 -13.91 38.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.74 -36.97 9.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.082 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 49' ' ' LEU . 2.9 pp -60.82 155.23 53.79 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.623 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 11.3 Cg_endo -54.88 151.08 34.6 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.216 2.611 . . . . 0.0 113.624 -175.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.05 -29.82 63.75 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.088 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 15.7 mm-40 -48.92 -51.11 31.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.178 0.513 . . . . 0.0 110.707 173.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.82 ' HB2' HD11 ' A' ' 45' ' ' LEU . 28.5 mt -73.51 -26.24 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.585 -175.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -70.95 -36.55 72.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HE2' ' HA ' ' A' ' 48' ' ' GLU . 41.7 mtmt -74.74 -28.75 60.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.906 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 84.2 mt -70.61 126.73 30.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.197 0.522 . . . . 0.0 110.487 176.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -82.49 -18.89 40.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.74 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.8 m -118.67 136.07 54.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.816 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.541 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 46.3 tp -59.18 -48.72 95.82 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.785 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.0 Cg_endo -55.45 -36.58 94.41 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.071 1.848 . . . . 0.0 112.264 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.73 84.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.773 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.513 ' HB3' HD22 ' A' ' 49' ' ' LEU . 79.4 mt-30 -60.8 -51.05 70.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.284 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.53 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -65.29 -35.02 79.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.004 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.65 -37.66 82.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.547 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 37.0 t60 -71.02 -26.85 63.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 110.451 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 59' ' ' ALA . 68.5 mt -59.58 -54.92 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 173.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.2 -37.43 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.419 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.547 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 9.8 t70 -51.9 -48.53 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.645 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.8 p -105.5 -72.6 0.71 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.719 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.3 m 144.11 126.59 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.236 1.814 . . . . 0.0 108.794 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.524 ' HB3' HD23 ' A' ' 62' ' ' LEU . 42.0 t -155.13 123.5 5.96 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -93.17 129.1 39.3 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.201 0.524 . . . . 0.0 109.862 -169.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.9 tp -116.97 127.25 54.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.711 -163.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -81.71 115.87 21.16 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 169.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.575 HG23 ' HG3' ' A' ' 75' ' ' LYS . 11.3 m -107.47 27.89 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -170.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.58 170.35 43.9 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.819 174.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.95 5.6 2.44 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.001 0.52 . . . . 0.0 111.822 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.77 5.12 88.38 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.449 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.575 ' HG3' HG23 ' A' ' 71' ' ' VAL . 42.7 pttt -97.27 140.8 31.2 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -107.04 138.87 42.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.114 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.4 tp -93.67 112.55 24.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.776 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -125.28 139.21 53.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.423 -176.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.445 ' CD1' HD21 ' A' ' 29' ' ' LEU . 15.2 p90 -144.62 139.64 28.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.823 0.344 . . . . 0.0 110.184 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -116.88 135.57 53.63 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.03 111.41 19.27 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.413 HG22 HD21 ' A' ' 11' ' ' ASN . 11.4 m -132.55 110.03 15.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.258 0.552 . . . . 0.0 109.692 -177.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.33 156.23 45.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.7 -171.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.5 tp 62.21 90.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.132 177.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -126.27 158.99 34.32 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 173.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -62.8 103.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.054 0.454 . . . . 0.0 111.117 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.5 tp -126.56 84.22 2.24 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.299 0.571 . . . . 0.0 110.07 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -117.3 110.09 17.65 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.149 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -92.12 108.54 20.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.623 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -88.48 -158.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.482 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.5 m80 67.99 13.54 9.16 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 122.662 0.385 . . . . 0.0 111.864 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -71.36 -44.66 64.61 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -137.78 -37.91 0.59 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.669 -1.15 . . . . 0.0 107.969 166.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.2 p80 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.07 172.487 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.561 ' HB2' ' HD2' ' A' ' 2' ' ' PRO . 26.8 ptt? . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.561 ' HD2' ' HB2' ' A' ' 1' ' ' MET . 86.4 Cg_exo -45.65 122.11 4.64 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.558 2.172 . . . . 0.0 111.586 175.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 9.7 p-10 -55.58 123.36 50.52 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.338 -171.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.518 ' HD2' HD23 ' A' ' 5' ' ' LEU . 5.2 Cg_exo -79.83 -11.33 13.92 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 123.157 2.572 . . . . 0.0 111.903 175.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 7' ' ' TYR . 2.5 pt? -152.55 142.8 22.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.18 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.0 ttp -81.68 31.71 0.36 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.877 0.846 . . . . 0.0 109.916 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.54 ' HB3' HD12 ' A' ' 5' ' ' LEU . 23.0 t80 -119.99 -4.25 10.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.26 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -151.26 97.81 2.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.289 -178.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -114.23 162.25 16.8 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.469 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -75.14 -178.37 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.54 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -124.12 122.81 38.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.132 0.492 . . . . 0.0 110.779 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 76.9 m-85 -100.92 144.38 29.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.092 -177.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.77 101.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.796 0.807 . . . . 0.0 108.826 171.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 93.4 t -86.65 125.38 40.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.92 -175.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.2 mt -100.69 110.26 22.36 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 174.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' HG3' HD11 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -140.25 -174.69 4.01 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -174.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 75' ' ' LYS . 37.6 m -87.44 -36.36 17.75 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.357 0.598 . . . . 0.0 109.865 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.5 92.38 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.884 174.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -120.13 101.96 46.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -177.199 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.15 136.6 18.32 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.856 2.371 . . . . 0.0 113.802 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.872 ' HG3' ' HG2' ' A' ' 22' ' ' GLN . 9.3 tp10 76.12 -100.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.774 175.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.872 ' HG2' ' HG3' ' A' ' 21' ' ' GLU . 9.3 pt20 -160.83 -65.85 0.06 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -173.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.431 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 99.1 m-85 -133.75 149.65 51.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.606 0.241 . . . . 0.0 110.92 -173.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -138.65 143.25 39.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.4 p -81.07 176.47 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.326 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 m -54.21 -40.47 67.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.582 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.0 -44.14 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 33.6 mt-10 -70.2 -36.78 74.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.541 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 tp -63.62 -37.97 89.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.344 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.6 mt -54.94 -54.45 42.59 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.609 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.51 -35.24 77.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HZ1' HD11 ' A' ' 77' ' ' LEU . 56.9 tttm -65.3 -51.97 57.19 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.055 177.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.65 -50.4 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.737 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HB3' HD22 ' A' ' 55' ' ' LEU . 49.7 mtpt -52.1 -52.96 48.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.259 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.64 -46.72 93.14 Favored Glycine 0 C--O 1.241 0.538 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.745 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' O ' HG13 ' A' ' 40' ' ' ILE . 44.5 mt-10 -75.22 -19.21 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.746 0.308 . . . . 0.0 110.718 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.08 -31.89 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.237 174.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -59.81 -38.46 82.04 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.189 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -78.91 -0.23 30.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.458 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 36' ' ' GLU . 65.5 mt -94.09 139.96 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.982 0.42 . . . . 0.0 110.572 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.404 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 46.6 t -73.4 148.14 43.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.475 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -66.45 -22.4 66.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.862 0.363 . . . . 0.0 110.434 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.1 t -88.08 3.57 48.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.112 0.482 . . . . 0.0 110.227 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -115.29 -30.65 6.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.411 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.664 HD12 ' HB2' ' A' ' 49' ' ' LEU . 3.3 pp -85.85 154.21 58.2 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.534 ' HD2' HD12 ' A' ' 49' ' ' LEU . 61.7 Cg_exo -53.52 153.15 18.94 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.467 2.778 . . . . 0.0 113.752 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.42 -28.7 69.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.555 -176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.753 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 63.2 mm-40 -58.9 -42.35 89.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.277 0.56 . . . . 0.0 110.382 177.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.664 ' HB2' HD12 ' A' ' 45' ' ' LEU . 64.7 mt -72.96 -21.81 60.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.458 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.83 -32.24 63.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.753 ' HE2' ' HA ' ' A' ' 48' ' ' GLU . 43.8 mtmt -76.4 -25.08 54.16 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.944 0.402 . . . . 0.0 110.651 175.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 58' ' ' GLN . 75.6 mt -79.18 106.88 11.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.268 0.556 . . . . 0.0 109.959 173.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.17 -29.11 70.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.839 -169.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -117.76 143.61 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.243 -173.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 10.6 tp -54.77 -51.5 78.4 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.588 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.0 Cg_endo -52.53 -39.98 73.41 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.224 1.949 . . . . 0.0 112.351 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.05 88.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.723 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.494 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 77.1 mt-30 -62.13 -56.27 20.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.616 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -63.18 -38.54 91.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.569 -177.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.68 -37.79 87.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.594 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 69.1 t60 -73.95 -26.01 60.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.542 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 58' ' ' GLN . 98.4 mt -59.86 -45.93 90.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 172.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.63 -25.39 34.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.966 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.594 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 42.2 m-20 -61.0 -45.51 94.51 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.086 0.47 . . . . 0.0 110.002 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 p -105.39 -82.17 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.81 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.8 m 144.87 138.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.103 1.761 . . . . 0.0 108.644 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 75.8 m -149.66 152.91 36.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.736 0.303 . . . . 0.0 110.476 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -96.25 117.03 29.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.5 tp -118.32 123.54 45.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.839 -169.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.55 108.04 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.591 HG21 ' HB2' ' A' ' 75' ' ' LYS . 2.5 m -102.64 21.75 2.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -171.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.29 149.89 25.97 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.582 -0.818 . . . . 0.0 113.274 171.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.64 11.8 7.03 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.289 0.636 . . . . 0.0 112.172 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.08 12.49 63.47 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.667 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.591 ' HB2' HG21 ' A' ' 71' ' ' VAL . 16.5 mtmt -79.06 134.54 36.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -113.68 122.22 46.49 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.492 HD11 ' HZ1' ' A' ' 32' ' ' LYS . 56.6 tp -104.53 117.44 34.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.402 -175.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -137.4 146.9 44.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.599 171.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 33.1 p90 -133.5 136.47 45.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.917 0.389 . . . . 0.0 110.527 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -140.96 146.3 37.16 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . . . -96.4 132.49 41.87 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.054 0.454 . . . . 0.0 111.241 -175.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -84.15 103.1 11.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 172.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 83' ' ' ARG . 30.9 mtp-105 -124.97 166.19 16.77 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.637 -167.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.4 mt -78.09 -159.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.189 170.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.644 ' O ' ' HA ' ' A' ' 89' ' ' HIS . 43.9 mt-10 64.37 24.2 13.18 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.1 0.476 . . . . 0.0 109.763 -174.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -75.39 -47.73 26.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.87 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.516 ' O ' HD11 ' A' ' 87' ' ' LEU . 3.4 pp -76.25 130.34 38.03 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 56.19 52.44 10.28 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -174.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.644 ' HA ' ' O ' ' A' ' 85' ' ' GLU . 22.8 t-80 -51.39 99.68 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.714 -1.13 . . . . 0.0 112.629 -169.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 8.27 91.35 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.025 1.73 . . . . 0.0 114.211 175.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -156.58 116.26 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.48 0.657 . . . . 0.0 111.928 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -110.97 -39.01 4.93 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 166.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 64.58 97.32 0.04 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.743 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.7 t60 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.265 173.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -64.36 -35.38 50.67 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.908 2.405 . . . . 0.0 111.881 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -92.4 105.22 13.37 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.1 -25.76 5.73 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.564 2.176 . . . . 0.0 113.75 -172.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.614 HD12 ' HD2' ' A' ' 7' ' ' TYR . 34.1 tp -117.44 98.52 6.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.165 0.507 . . . . 0.0 111.236 -174.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -119.8 6.94 10.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.63 174.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.614 ' HD2' HD12 ' A' ' 5' ' ' LEU . 6.2 m-85 -89.56 -70.41 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.138 -174.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -150.81 119.31 6.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.577 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.505 ' HB2' HG21 ' A' ' 25' ' ' THR . 1.8 mp0 -83.54 170.29 14.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.463 -176.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.64 148.21 51.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.955 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -105.63 137.38 43.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.483 . . . . 0.0 110.638 -175.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.58 140.59 44.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.998 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.6 t -86.29 114.78 26.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.005 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.553 HG11 HD12 ' A' ' 77' ' ' LEU . 88.8 t -104.42 105.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.19 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.5 mt -107.3 112.17 24.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.015 -176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' H ' ' HB3' ' A' ' 20' ' ' PRO . 48.5 mt-10 -104.63 159.46 15.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.927 174.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.8 m -60.87 -40.49 93.17 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -100.23 -61.94 1.3 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -172.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -133.17 97.92 16.06 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 120.722 0.296 . . . . 0.0 110.223 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.489 ' HB3' ' H ' ' A' ' 16' ' ' GLU . 97.3 Cg_endo -85.75 149.51 9.84 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.745 2.297 . . . . 0.0 112.497 175.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -97.32 18.06 15.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 63.34 -86.15 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.876 -177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -145.73 139.23 26.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.029 0.443 . . . . 0.0 110.871 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -134.91 174.6 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.276 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.505 HG21 ' HB2' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -80.95 163.86 23.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -176.533 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 m -52.48 -40.62 62.54 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.9 0.48 . . . . 0.0 112.255 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.96 -44.5 81.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.207 -174.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.42 -37.85 84.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.69 0.281 . . . . 0.0 110.543 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.22 -38.94 89.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.109 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -61.85 -48.41 80.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.083 178.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.536 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 41.4 mt-10 -68.01 -32.8 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.017 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -66.48 -53.0 40.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.213 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.22 -27.96 68.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.494 -177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 54.8 mtmt -62.13 -38.99 91.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.702 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.534 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -73.92 -44.08 31.94 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.136 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.531 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -57.34 -32.36 66.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.176 -0.512 . . . . 0.0 110.826 175.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 tp -84.68 -41.17 16.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.822 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.534 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.3 pt-20 -67.63 -23.78 65.39 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.418 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 59.4 pttt -83.87 2.46 38.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.376 0.608 . . . . 0.0 110.435 177.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 36' ' ' GLU . 1.6 mp -108.99 143.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.265 174.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.5 t -59.45 133.58 56.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.721 0.296 . . . . 0.0 110.769 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.424 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . 93.2 m-85 -71.9 -9.8 58.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -93.96 -13.76 26.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.211 0.529 . . . . 0.0 109.738 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -99.69 -36.01 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.348 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 49' ' ' LEU . 2.6 pp -63.28 160.45 40.81 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.14 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.539 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 87.5 Cg_exo -44.42 141.71 5.02 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.604 2.869 . . . . 0.0 113.684 -177.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.504 HD13 ' HE3' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -53.82 -40.79 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.026 -176.819 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.58 -32.54 70.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.353 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.769 ' HB2' HD11 ' A' ' 45' ' ' LEU . 25.4 mt -78.19 -20.36 52.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.274 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -76.66 -29.65 56.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.862 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.504 ' HE3' HD13 ' A' ' 47' ' ' LEU . 99.5 mttt -76.39 -34.24 58.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.427 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.7 mt -77.81 138.99 39.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -99.38 -29.81 12.56 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.272 -174.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 46.9 m -96.12 130.21 43.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.379 -176.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.557 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 6.6 mp -49.21 -48.39 73.9 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.654 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.0 Cg_endo -54.78 -28.36 57.13 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.284 1.99 . . . . 0.0 113.04 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.33 -40.96 22.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.379 0.609 . . . . 0.0 109.833 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 54' ' ' SER . 57.4 mt-30 -64.4 -47.97 77.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.489 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.411 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -67.76 -34.48 76.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.453 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.445 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 13.3 tm0? -64.35 -42.76 96.06 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -53.42 -44.16 68.54 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.532 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 49' ' ' LEU . 78.3 mt -55.99 -55.04 37.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.354 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.5 mt -59.61 -45.54 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.994 -176.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.12 -30.85 71.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.918 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 p -109.63 -81.88 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.609 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m 145.56 135.94 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.265 1.826 . . . . 0.0 108.188 -171.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 74.1 m -151.73 167.98 26.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -96.46 137.8 35.0 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 tp -151.36 113.21 4.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.672 0.272 . . . . 0.0 111.34 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -75.38 120.69 21.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.519 HG21 ' HG3' ' A' ' 75' ' ' LYS . 29.2 m -102.84 20.22 3.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -170.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.521 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 92.27 156.54 32.85 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.592 171.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 67.31 -4.55 0.85 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.531 0.732 . . . . 0.0 112.284 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.07 7.97 67.38 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.049 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 62.6 pttt -87.45 156.43 19.57 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -106.12 156.12 18.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.781 0.324 . . . . 0.0 110.807 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.553 HD12 HG11 ' A' ' 14' ' ' VAL . 41.1 tp -147.57 125.84 12.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.217 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.15 152.65 40.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 172.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 23.1 p90 -128.77 140.76 51.57 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.868 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -140.47 144.92 36.32 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.58 120.16 27.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.123 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 m -88.12 102.81 13.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.707 0.765 . . . . 0.0 110.26 176.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -134.58 132.03 38.58 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.192 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 tt -130.17 96.82 4.27 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 13.1 mm-40 -69.63 -23.8 63.55 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.455 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 52.1 pttt 61.97 163.5 0.09 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.933 1.293 . . . . 0.0 112.959 176.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.6 tp 73.03 -59.24 0.57 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.708 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -75.79 148.19 38.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 -175.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -132.23 -19.01 2.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.209 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -75.1 87.98 2.42 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.225 0.536 . . . . 0.0 110.317 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -67.24 125.81 27.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.843 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -144.99 32.05 1.13 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.302 0.573 . . . . 0.0 110.638 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -166.11 -54.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.244 0.767 0 CA-C-N 114.977 -1.011 . . . . 0.0 108.579 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.95 157.82 53.93 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.477 2.118 . . . . 0.0 110.885 174.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.5 114.29 9.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -79.89 -10.96 13.99 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.054 2.503 . . . . 0.0 112.287 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 tp -87.05 57.36 4.46 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.517 0.675 . . . . 0.0 111.307 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.8 ptm -80.96 -8.2 59.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.549 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -87.8 -10.22 51.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.498 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.517 ' HG2' ' HG3' ' A' ' 9' ' ' GLN . 55.9 tt0 66.62 -73.54 0.07 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.278 -178.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.517 ' HG3' ' HG2' ' A' ' 8' ' ' GLN . 28.0 mt-30 -148.14 104.6 3.56 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -177.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -79.93 156.51 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -106.44 131.77 53.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.323 0.582 . . . . 0.0 110.024 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 81' ' ' ALA . 75.8 m-85 -116.96 137.37 52.26 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.231 -175.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.3 m -91.65 111.05 23.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -97.38 118.64 44.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.082 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -107.81 102.41 11.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.149 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' HG2' HD11 ' A' ' 77' ' ' LEU . 21.5 mt-10 -92.59 140.79 29.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.467 HG23 ' HA ' ' A' ' 75' ' ' LYS . 91.3 m -59.74 -40.91 89.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.91 177.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -69.69 -61.26 1.85 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.098 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -152.83 109.87 2.7 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.87 127.25 12.05 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.529 2.153 . . . . 0.0 111.368 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -87.89 -100.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.168 0.509 . . . . 0.0 111.557 -176.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -147.81 -162.94 1.65 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -91.27 133.5 35.35 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 170.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -131.97 157.27 44.49 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.157 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -82.25 170.69 15.11 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -174.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 m -53.3 -42.43 66.62 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -66.47 -47.77 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 110.969 -175.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.66 -36.42 84.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.3 tp -64.53 -43.03 95.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.09 176.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -54.49 -52.53 61.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.39 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.9 -37.6 82.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.571 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -63.31 -51.2 67.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 110.097 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.48 -38.49 87.48 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.525 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -60.11 -39.13 85.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.697 0.284 . . . . 0.0 111.004 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -77.42 -42.31 18.6 Favored Glycine 0 C--O 1.237 0.308 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.939 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.538 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -67.78 -21.03 65.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.777 0.322 . . . . 0.0 111.159 178.804 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.1 tp -85.92 -38.55 17.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.508 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 10.9 pt-20 -70.26 -27.25 64.29 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.341 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 65.5 pttt -74.71 -12.34 60.39 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.923 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.508 HD12 ' HG3' ' A' ' 39' ' ' LYS . 1.7 mp -94.57 137.96 21.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 m -62.18 146.03 51.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.151 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.54 -36.4 82.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.671 -174.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.4 m -77.92 -11.67 59.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.062 0.458 . . . . 0.0 110.661 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -96.25 -19.15 19.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.803 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 49' ' ' LEU . 3.8 pp -86.14 156.78 57.27 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.463 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.491 ' HD2' HD12 ' A' ' 49' ' ' LEU . 88.6 Cg_exo -48.91 142.68 19.03 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.41 2.74 . . . . 0.0 113.716 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.79 -31.03 70.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.18 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -56.75 -38.16 72.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.095 0.474 . . . . 0.0 110.669 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.638 ' HB2' HD11 ' A' ' 45' ' ' LEU . 44.8 mt -74.09 -26.99 60.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.311 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -73.87 -28.01 61.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.341 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -70.14 -35.38 74.02 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.823 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 53.9 mt -72.84 140.79 47.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.012 176.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.92 -35.24 14.84 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.198 -172.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -99.61 143.04 30.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.575 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.545 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 47.8 tp -61.28 -49.02 89.76 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.609 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.3 Cg_endo -56.08 -38.12 95.3 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.955 1.77 . . . . 0.0 112.042 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.94 88.29 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.495 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.463 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 73.5 mt-30 -63.21 -52.97 60.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.476 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.524 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -61.63 -40.44 94.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.492 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.82 -42.36 95.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.542 ' O ' HG23 ' A' ' 65' ' ' THR . 28.9 m80 -69.0 -32.23 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.581 HD21 HD13 ' A' ' 49' ' ' LEU . 55.2 mt -53.18 -52.4 58.94 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 173.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.455 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 56.9 mt -58.13 -39.81 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.497 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.76 -47.16 55.49 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -172.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 61' ' ' HIS . 9.6 t -100.24 -25.12 14.36 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -169.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.7 m -145.43 -179.16 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.004 -0.435 . . . . 0.0 111.524 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.6 m -149.94 98.82 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 168.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -175.4 156.14 1.95 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.485 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.806 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 40.4 tp -167.37 111.73 0.7 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 172.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -70.64 115.56 9.94 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.5 m -120.74 18.31 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.006 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.82 168.42 17.44 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.524 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.26 98.21 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.831 0.348 . . . . 0.0 110.572 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.36 -5.78 71.16 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.041 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' HA ' HG23 ' A' ' 17' ' ' THR . 56.2 mtmt -106.08 127.02 52.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.849 0.357 . . . . 0.0 110.589 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -136.28 153.9 51.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.248 0.547 . . . . 0.0 110.623 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.806 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 44.3 tp -105.86 118.02 35.52 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.72 176.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.41 154.24 42.22 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.455 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 48.6 p90 -154.03 141.45 19.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.534 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -141.22 143.59 34.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.013 0.435 . . . . 0.0 110.609 173.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.559 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . . . -86.9 142.61 27.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.873 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.29 104.08 16.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.414 0.626 . . . . 0.0 110.38 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -112.02 131.86 55.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.476 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.6 mp 60.95 91.41 0.06 Allowed 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.793 0.683 . . . . 0.0 111.549 178.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -131.21 -167.83 1.91 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.976 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -72.71 140.41 47.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.755 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.4 tp -75.35 127.72 33.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.478 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -82.91 77.04 9.71 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.6 m80 59.31 -172.99 0.11 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.18 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -84.46 67.96 10.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.402 0.62 . . . . 0.0 109.566 170.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -79.07 98.89 6.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.181 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -109.79 155.31 21.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.886 0.374 . . . . 0.0 111.075 -176.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -162.18 156.24 21.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.828 -176.354 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.17 -41.96 25.28 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.563 2.175 . . . . 0.0 111.246 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -97.47 131.9 26.32 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.626 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.08 -37.62 8.17 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.664 2.243 . . . . 0.0 113.313 -174.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.465 ' HG ' ' HA ' ' A' ' 8' ' ' GLN . 27.4 tp -87.79 55.3 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.49 0.662 . . . . 0.0 111.205 -174.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 24.5 ttt -72.26 -33.04 67.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.207 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -70.68 -26.12 63.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.623 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.465 ' HA ' ' HG ' ' A' ' 5' ' ' LEU . 24.7 tt0 69.97 -65.66 0.3 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.875 0.734 . . . . 0.0 112.359 175.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' HG2' HD13 ' A' ' 27' ' ' ILE . 98.4 mt-30 -83.59 109.14 17.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.401 0.143 . . . . 0.0 111.179 -177.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.6 t70 -109.14 -168.89 1.39 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 174.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -107.18 116.83 32.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.999 0.428 . . . . 0.0 110.712 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -118.77 130.64 55.9 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.0 t -98.72 121.94 49.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.475 ' CG2' HD23 ' A' ' 24' ' ' LEU . 92.6 t -99.39 117.53 44.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.309 0.576 . . . . 0.0 110.622 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -99.41 129.83 45.63 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.003 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.649 ' HB3' ' O ' ' A' ' 19' ' ' GLN . 0.5 OUTLIER -119.05 151.68 37.81 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 173.024 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.6 m -55.39 -43.63 75.36 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -168.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -95.32 -28.31 15.04 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.461 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.649 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 2.3 pt20 -154.38 133.47 7.27 Favored Pre-proline 0 C--O 1.225 -0.221 0 CA-C-O 120.678 0.275 . . . . 0.0 110.926 175.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.12 150.76 29.76 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.234 1.956 . . . . 0.0 111.269 175.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -103.09 17.26 24.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.229 0.538 . . . . 0.0 110.384 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.408 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 81.0 mm-40 60.47 -155.2 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.877 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.408 ' H ' ' HB3' ' A' ' 22' ' ' GLN . 40.9 p90 -94.47 147.28 23.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.532 -174.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.475 HD23 ' CG2' ' A' ' 14' ' ' VAL . 1.0 OUTLIER -152.67 162.22 41.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.741 173.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 47.1 p -82.12 171.36 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.204 0.526 . . . . 0.0 112.188 -174.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' A' ' 9' ' ' GLN . 4.9 m -51.61 -47.17 63.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.308 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.459 HD13 ' HG2' ' A' ' 9' ' ' GLN . 1.7 mp -66.58 -42.69 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.725 0.297 . . . . 0.0 110.767 -177.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.86 -43.23 96.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.8 tp -66.32 -36.72 83.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.808 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -56.74 18.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.134 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.544 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 54.7 mm-40 -61.2 -35.4 77.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.008 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -64.94 -51.54 61.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.448 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.0 mt -62.12 -35.26 78.2 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.08 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 54.5 mtpt -57.96 -40.26 80.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.632 0.253 . . . . 0.0 110.866 176.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.25 -53.15 19.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.951 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.838 ' HB3' HD22 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -57.64 -36.45 71.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.314 178.751 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.58 -43.95 62.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.636 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -75.72 -15.55 60.27 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.729 -175.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -89.01 -5.71 57.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.118 0.485 . . . . 0.0 109.815 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.513 HD11 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -95.53 144.13 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.085 172.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 m -59.5 130.95 49.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.97 0.414 . . . . 0.0 110.99 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.473 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . 91.2 m-85 -70.71 -10.77 60.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.086 -175.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.4 p -83.15 -22.55 33.27 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.212 0.529 . . . . 0.0 110.87 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.84 -19.61 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.468 -171.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.842 HD11 ' HB2' ' A' ' 49' ' ' LEU . 3.1 pp -72.67 156.26 90.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.709 176.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.61 151.68 24.0 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.231 2.621 . . . . 0.0 113.701 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.21 -28.03 68.85 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.879 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -49.84 -45.89 50.78 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.865 0.841 . . . . 0.0 110.566 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.842 ' HB2' HD11 ' A' ' 45' ' ' LEU . 22.0 mt -79.56 -21.01 45.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.714 -174.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.44 -22.33 54.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.241 0.544 . . . . 0.0 110.129 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -82.69 -34.71 27.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.943 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.7 mt -78.06 119.75 21.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.795 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.57 -30.04 62.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.72 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -98.44 132.57 43.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.703 0.287 . . . . 0.0 111.054 -175.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.511 ' HB3' ' HD3' ' A' ' 56' ' ' PRO . 34.6 tp -58.29 -44.81 99.56 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.358 177.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 53.6 Cg_exo -53.38 -44.19 51.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 122.068 1.845 . . . . 0.0 112.224 174.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.68 93.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.699 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -57.58 -55.86 29.4 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.672 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.447 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -62.01 -35.68 79.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.064 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -61.86 -41.4 97.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.613 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.509 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 61.0 t60 -70.24 -22.58 62.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.725 0.298 . . . . 0.0 110.63 -178.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 59' ' ' ALA . 96.0 mt -65.71 -53.1 45.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 171.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.82 -28.94 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.489 0.661 . . . . 0.0 109.834 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.509 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 33.2 t70 -64.72 -58.03 7.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.211 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 t -166.72 21.82 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.4 m -136.5 124.46 22.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.412 -0.805 . . . . 0.0 110.819 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.3 t -132.51 104.01 6.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.01 0.433 . . . . 0.0 111.581 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -172.18 121.83 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.984 169.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.838 HD22 ' HB3' ' A' ' 36' ' ' GLU . 32.5 tp -150.34 111.38 4.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.05 0.452 . . . . 0.0 110.74 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -93.32 107.11 18.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.381 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.526 HG23 ' HG3' ' A' ' 75' ' ' LYS . 24.2 m -98.76 17.95 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.544 -176.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.444 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 74.95 172.07 29.39 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.169 -0.538 . . . . 0.0 113.611 173.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 66.85 21.3 10.46 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.34 0.656 . . . . 0.0 112.162 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.23 0.91 87.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.945 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.526 ' HG3' HG23 ' A' ' 71' ' ' VAL . 24.9 pttm -104.42 147.72 27.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.925 0.393 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -124.08 149.0 46.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.68 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.526 HD21 ' HG2' ' A' ' 36' ' ' GLU . 13.1 tp -101.39 115.45 30.53 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -121.19 132.23 54.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.959 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.428 ' CZ2' ' HB3' ' A' ' 62' ' ' LEU . 44.1 p90 -126.37 144.16 50.92 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.892 0.377 . . . . 0.0 110.18 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.61 155.05 46.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.19 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -89.68 131.64 35.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.219 -175.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.26 102.47 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.532 0.682 . . . . 0.0 110.675 174.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -126.73 123.83 38.36 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.341 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.648 HD21 ' H ' ' A' ' 84' ' ' LEU . 2.5 pt? -111.76 144.99 40.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.835 -175.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -113.33 -3.06 13.86 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.853 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -95.78 90.1 5.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.62 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.427 ' H ' HD23 ' A' ' 87' ' ' LEU . 2.7 pt? -67.13 156.62 35.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.022 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.785 ' HG3' ' HB2' ' A' ' 91' ' ' HIS . 42.8 tt0 -92.1 92.12 8.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.275 0.56 . . . . 0.0 110.893 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -109.87 -38.95 5.22 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 173.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -138.6 98.34 3.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.843 172.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.785 ' HB2' ' HG3' ' A' ' 88' ' ' GLU . 5.3 t-160 -119.1 105.81 11.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.582 -174.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -75.87 -26.9 57.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.38 -173.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -137.86 164.55 28.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.8 m80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.864 178.274 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.494 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 42.7 mtt . . . . . 0 N--CA 1.485 1.288 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.494 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 52.8 Cg_exo -54.95 -70.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.362 1.271 0 C-N-CA 122.15 1.9 . . . . 0.0 112.516 -176.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.648 ' HB2' ' HA ' ' A' ' 6' ' ' MET . 35.6 m-20 -95.87 145.62 29.88 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 173.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -50.32 -64.63 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.983 2.456 . . . . 0.0 112.722 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -82.87 -9.11 59.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.993 0.425 . . . . 0.0 110.103 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.648 ' HA ' ' HB2' ' A' ' 3' ' ' ASP . 23.6 ttt 66.95 13.71 9.56 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.924 174.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -118.16 -86.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -159.05 -170.05 2.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.858 0.361 . . . . 0.0 111.141 -173.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -64.89 111.73 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 168.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 11' ' ' ASN . 6.8 t70 -90.03 -158.04 0.5 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -175.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.462 ' H ' HD21 ' A' ' 11' ' ' ASN . 0.1 OUTLIER -127.41 139.52 52.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.668 0.746 . . . . 0.0 111.436 -174.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -121.05 137.98 54.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.551 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 23' ' ' PHE . 24.9 t -94.45 119.33 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.447 ' CG2' HD21 ' A' ' 24' ' ' LEU . 92.2 t -105.27 124.75 60.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.198 0.523 . . . . 0.0 111.298 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.5 mt -109.99 114.16 27.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.498 176.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.2 171.33 8.07 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.4 m -79.26 -43.84 22.93 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.078 0.466 . . . . 0.0 110.824 -177.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -66.52 -45.72 78.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.605 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -154.72 140.37 12.48 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.714 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -79.53 126.88 6.98 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 121.809 1.673 . . . . 0.0 109.675 165.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HG3' ' H ' ' A' ' 22' ' ' GLN . 5.1 pt-20 -109.35 -98.13 0.39 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -171.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.571 ' HG2' ' N ' ' A' ' 23' ' ' PHE . 14.9 tt0 -154.22 172.93 16.82 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.757 -170.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.571 ' N ' ' HG2' ' A' ' 22' ' ' GLN . 50.9 p90 -77.55 148.43 35.23 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 172.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 24' ' ' LEU . 1.1 pt? -146.09 169.49 18.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.437 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -83.07 162.6 21.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.063 -175.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.453 HG23 HG21 ' A' ' 63' ' ' ILE . 8.8 m -48.52 -47.05 39.31 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.004 0.522 . . . . 0.0 112.099 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.487 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 51.3 mm -60.96 -41.65 89.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.365 0.602 . . . . 0.0 110.846 -178.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' CB ' HD13 ' A' ' 24' ' ' LEU . 36.3 mt-10 -67.93 -37.09 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.515 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.07 -35.33 79.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.337 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 19.5 mt -52.49 -54.56 30.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.711 173.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -58.38 -37.9 76.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.953 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.78 -57.89 10.11 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.846 0.355 . . . . 0.0 110.562 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.25 -42.63 98.95 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.783 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -54.48 -49.39 70.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.05 -49.34 54.51 Favored Glycine 0 C--O 1.239 0.426 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.429 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.61 ' HA ' ' HZ2' ' A' ' 39' ' ' LYS . 47.5 mm-40 -60.18 -44.11 95.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.505 0.193 . . . . 0.0 110.524 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.55 -43.45 93.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.879 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -69.67 -20.17 63.58 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.552 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.61 ' HZ2' ' HA ' ' A' ' 36' ' ' GLU . 29.9 mtmm -65.89 -32.33 73.77 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.27 172.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -75.34 140.01 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -58.13 133.59 55.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.906 0.384 . . . . 0.0 110.703 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -67.11 -12.37 59.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.899 -176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 m -96.09 -3.76 44.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.925 0.393 . . . . 0.0 111.017 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.05 -41.82 6.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.072 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 49' ' ' LEU . 2.8 pp -58.49 158.2 15.79 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.293 -178.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HD2' HD12 ' A' ' 49' ' ' LEU . 77.0 Cg_exo -43.01 139.29 3.64 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.402 2.734 . . . . 0.0 113.526 -175.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.474 ' HG ' ' HE3' ' A' ' 51' ' ' LYS . 58.0 tp -58.26 -31.59 67.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.459 -177.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -60.99 -39.65 90.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.179 0.514 . . . . 0.0 110.323 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.571 ' HB2' HD11 ' A' ' 45' ' ' LEU . 39.1 mt -72.1 -31.89 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.939 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -64.96 -27.69 69.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.729 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.474 ' HE3' ' HG ' ' A' ' 47' ' ' LEU . 91.2 mttt -76.65 -34.17 58.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.92 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -74.68 109.29 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.643 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -65.62 -28.69 69.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.311 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -96.02 129.64 43.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.102 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.584 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 43.1 tp -62.94 -45.94 87.19 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.674 177.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.9 Cg_endo -55.89 -31.46 81.42 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 122.28 1.986 . . . . 0.0 112.259 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.55 -40.6 73.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.539 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -60.3 -52.03 67.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.288 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.34 86.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.26 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -63.36 -39.27 94.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.781 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -55.66 -42.43 75.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.56 -52.23 66.08 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.486 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.453 HG21 HG23 ' A' ' 26' ' ' THR . 85.2 mt -55.63 -45.62 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.37 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.44 -37.28 85.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.99 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' A' ' 66' ' ' SER . 21.7 p -108.6 -79.93 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.513 ' HB2' ' O ' ' A' ' 65' ' ' THR . 24.9 t 156.63 160.23 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.495 1.118 . . . . 0.0 108.223 -174.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 19.9 t -176.04 158.76 2.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.856 0.36 . . . . 0.0 110.24 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' CD ' ' HH ' ' A' ' 76' ' ' TYR . 8.5 mm-40 -106.87 120.18 41.33 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 172.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 tp -129.07 122.87 30.86 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -171.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.48 113.85 20.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 166.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.581 HG23 ' HB2' ' A' ' 75' ' ' LYS . 7.6 m -90.62 16.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -171.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.95 156.45 32.69 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.349 172.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 67.66 15.51 9.72 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.062 0.545 . . . . 0.0 111.523 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.24 0.31 77.19 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.043 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HB2' HG23 ' A' ' 71' ' ' VAL . 41.0 mtmt -79.37 146.62 32.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.277 0.561 . . . . 0.0 110.275 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.454 ' HH ' ' CD ' ' A' ' 68' ' ' GLU . 29.8 t80 -124.3 120.08 31.16 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.411 HD22 HG12 ' A' ' 71' ' ' VAL . 43.5 tp -105.49 130.03 53.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.887 0.375 . . . . 0.0 111.336 -174.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -129.83 131.08 46.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.823 175.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -132.66 140.37 48.13 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -134.36 139.46 45.65 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.7 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.61 118.24 26.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.399 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.2 m -83.78 103.04 10.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.646 0.736 . . . . 0.0 109.928 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 83' ' ' ARG . 12.8 ptt180 -131.41 120.63 23.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.235 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.5 tp 178.51 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.036 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -76.3 84.62 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.763 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -87.88 1.43 54.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.576 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -96.13 101.08 12.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.649 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -67.96 107.92 2.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.621 -177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -83.66 155.51 23.13 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -57.89 138.22 55.97 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.25 0.344 . . . . 0.0 110.7 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -99.51 -91.48 0.29 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.974 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 67.0 t60 47.59 88.33 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.83 0.706 . . . . 0.0 111.598 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -77.26 94.18 4.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.605 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.374 -0.822 . . . . 0.0 112.265 174.844 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.681 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 15.5 tpt . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 119.535 -0.269 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.681 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 35.0 Cg_exo -61.04 -39.83 56.89 Favored 'Trans proline' 0 C--N 1.362 1.242 0 C-N-CA 121.457 1.438 . . . . 0.0 110.107 171.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.2 130.48 80.19 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.573 171.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -67.46 -38.41 14.81 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.388 2.059 . . . . 0.0 112.055 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.777 ' HB2' ' HG3' ' A' ' 8' ' ' GLN . 9.2 mp -102.69 119.63 39.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.845 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.2 mtt -83.16 -27.98 29.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.318 0.58 . . . . 0.0 109.477 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -86.6 -56.74 3.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.126 172.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.777 ' HG3' ' HB2' ' A' ' 5' ' ' LEU . 1.5 tt0 67.8 176.05 0.26 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.246 173.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -145.33 99.67 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.935 0.397 . . . . 0.0 110.86 176.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' THR . 13.1 t70 -116.87 -169.07 1.57 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 171.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.39 116.13 31.39 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.68 0.752 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 20.3 m-85 -103.27 140.25 37.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.924 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.8 p -87.13 112.08 22.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.699 0.762 . . . . 0.0 110.711 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG22 HD13 ' A' ' 29' ' ' LEU . 90.9 t -103.71 129.89 55.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.886 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . 53.7 mt -92.3 102.11 14.6 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.592 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 19' ' ' GLN . 1.7 tm-20 -107.01 161.27 14.88 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -86.07 -41.45 14.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.807 0.337 . . . . 0.0 111.532 -172.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.405 ' HB2' ' OE1' ' A' ' 16' ' ' GLU . 44.3 m-80 -72.67 -60.64 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.048 0.451 . . . . 0.0 109.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 3.2 pp0? -114.74 114.26 44.47 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-O 121.511 0.672 . . . . 0.0 109.548 177.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -85.79 158.45 10.41 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.576 2.184 . . . . 0.0 113.775 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 51.52 63.57 2.19 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.495 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.559 ' HG2' HD23 ' A' ' 24' ' ' LEU . 61.3 tt0 -93.85 111.55 23.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.644 177.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 22.7 p90 -101.09 116.07 31.97 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.405 0.621 . . . . 0.0 110.226 176.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.559 HD23 ' HG2' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -134.83 172.78 12.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.069 -176.08 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 31.6 p -89.83 168.98 11.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.036 0.445 . . . . 0.0 111.5 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -51.22 -52.67 42.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.267 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.04 -37.42 67.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.132 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.18 -50.69 63.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.712 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.48 HD13 HG22 ' A' ' 14' ' ' VAL . 36.4 tp -60.8 -33.44 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.659 -178.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.97 -62.7 1.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.097 175.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 52.2 mm-40 -60.95 -33.56 73.37 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.17 -176.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -57.12 14.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.732 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.01 -37.06 86.06 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.545 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 56.6 mtpt -56.54 -38.25 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.602 0.239 . . . . 0.0 111.039 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.628 ' O ' ' HG3' ' A' ' 39' ' ' LYS . . . -70.76 -53.81 11.07 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.036 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' O ' HD11 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -61.32 -32.3 72.17 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.454 -0.439 . . . . 0.0 111.051 179.829 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.0 tp -66.47 -40.11 89.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.34 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.618 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 3.2 pp20? -76.57 -13.68 60.06 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.804 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.628 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 45.1 mttm -81.88 -27.24 33.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.033 0.444 . . . . 0.0 110.575 173.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.479 HD11 ' O ' ' A' ' 36' ' ' GLU . 1.6 mp -80.38 142.05 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.078 177.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.5 m -60.32 140.47 57.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.059 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.13 -21.78 63.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.931 0.396 . . . . 0.0 111.119 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -92.03 0.53 57.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -107.63 -34.16 7.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.765 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -67.04 153.63 94.15 Favored Pre-proline 0 C--O 1.238 0.452 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.631 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.473 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 79.9 Cg_exo -46.48 142.51 9.46 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.503 2.802 . . . . 0.0 113.701 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -37.42 74.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.395 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 3.9 tp10 -57.65 -33.07 67.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.616 0.722 . . . . 0.0 110.431 -176.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.528 ' HB2' HD11 ' A' ' 45' ' ' LEU . 36.0 mt -72.42 -26.3 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.155 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -73.61 -25.37 60.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.869 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 5.2 mptp? -70.05 -36.02 74.69 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.381 0.61 . . . . 0.0 110.209 171.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.505 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 68.3 mt -78.48 112.52 15.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.539 -178.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.13 -34.65 78.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.898 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 t -92.17 123.96 35.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 49.2 tp -54.8 -49.82 89.48 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.771 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.2 Cg_endo -56.79 -39.62 90.08 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 121.83 1.687 . . . . 0.0 112.637 175.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.88 78.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.761 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.505 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 78.2 mt-30 -61.38 -51.14 70.03 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.275 176.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -61.54 -39.47 91.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.921 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -62.64 -40.18 96.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.584 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -65.68 -34.79 79.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.571 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.78 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 92.4 mt -58.61 -49.0 79.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.076 0.465 . . . . 0.0 110.128 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.594 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 38.5 mt -63.54 -37.95 80.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.677 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -68.14 -61.91 1.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.478 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 p -150.39 70.42 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.78 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 49.0 m -147.91 -174.9 4.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.318 -0.239 . . . . 0.0 110.481 171.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 57.9 m -107.02 -166.13 1.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.421 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 77' ' ' LEU . 3.0 mp0 -94.35 176.37 6.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -141.81 153.56 44.6 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.926 0.394 . . . . 0.0 111.748 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -85.05 126.45 33.58 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.428 ' CG2' ' HG3' ' A' ' 75' ' ' LYS . 32.8 m -105.27 14.17 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.857 -172.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.522 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 94.17 149.45 25.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.991 176.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 72.01 18.63 4.88 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.33 0.652 . . . . 0.0 112.126 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.25 -8.67 69.89 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.709 -0.758 . . . . 0.0 113.227 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 25.7 pttm -89.62 143.33 26.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -113.56 170.98 7.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.484 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 36.6 tp -135.02 111.67 9.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.623 176.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.549 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 1.6 mp0 -113.55 143.03 45.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.057 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.594 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 38.2 p90 -147.06 137.92 23.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 176.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -142.12 137.87 31.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.119 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.07 113.45 18.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.799 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.4 m -99.83 105.14 17.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.042 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -118.05 120.01 36.5 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 173.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.2 tp -151.06 47.27 0.84 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.75 ' HB3' ' HB2' ' A' ' 89' ' ' HIS . 43.7 mt-10 -79.02 85.84 4.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.107 -175.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -102.6 -40.74 6.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.142 0.496 . . . . 0.0 109.7 175.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.8 tp -117.57 -36.83 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.369 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -82.74 15.25 2.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.64 -176.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.75 ' HB2' ' HB3' ' A' ' 85' ' ' GLU . 36.9 t60 -82.05 -18.19 44.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -58.84 119.16 6.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.598 176.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 51.54 23.26 1.8 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.083 0.953 . . . . 0.0 112.194 -175.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 63.54 179.31 0.16 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.36 0.6 . . . . 0.0 112.052 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -69.59 101.52 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.015 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.728 177.873 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.51 -30.14 43.81 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.381 2.054 . . . . 0.0 110.73 172.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.425 ' HB3' ' HD2' ' A' ' 4' ' ' PRO . 8.0 m-20 -80.6 162.38 60.82 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.811 173.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 3' ' ' ASP . 29.0 Cg_endo -63.67 161.37 32.37 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 121.692 1.595 . . . . 0.0 111.549 175.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.832 ' H ' HD23 ' A' ' 5' ' ' LEU . 1.5 pt? -75.59 14.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.088 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 54.1 ttp 76.02 -44.44 0.5 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.664 0.786 . . . . 0.0 112.219 172.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.416 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 71.1 m-85 -85.25 -10.18 56.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.756 0.312 . . . . 0.0 110.431 176.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 2.0 mp0 70.26 170.23 0.31 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.836 -174.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.516 ' HG2' HG12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -61.69 148.11 43.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.214 -175.373 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.404 ' HB2' ' NH2' ' A' ' 83' ' ' ARG . 6.3 p-10 -70.88 154.26 41.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.223 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.547 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 4.1 p-10 -107.07 147.02 30.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.219 0.533 . . . . 0.0 111.239 -176.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.418 ' HD1' ' HA ' ' A' ' 81' ' ' ALA . 96.6 m-85 -115.4 144.3 44.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.575 177.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.538 ' HB ' ' HD2' ' A' ' 80' ' ' TYR . 59.3 t -86.07 106.91 15.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.479 HG22 HD13 ' A' ' 29' ' ' LEU . 22.4 t -112.05 103.8 16.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.517 -175.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD12 ' HH ' ' A' ' 80' ' ' TYR . 92.4 mt -95.38 101.74 13.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.026 0.441 . . . . 0.0 110.152 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 20' ' ' PRO . 35.9 tt0 -83.59 153.91 24.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.913 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -75.58 -53.3 8.83 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.19 -78.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.797 -173.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -125.38 100.72 31.9 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 177.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.45 ' HA ' ' HB3' ' A' ' 16' ' ' GLU . 5.6 Cg_exo -73.23 127.89 12.41 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.602 2.201 . . . . 0.0 112.142 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -88.83 170.83 10.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.49 149.48 49.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.439 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . 3.5 p90 -51.9 137.69 25.96 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.511 0.507 . . . . 0.0 110.549 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.503 HD22 ' N ' ' A' ' 24' ' ' LEU . 1.3 pt? -136.47 164.68 27.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.582 -165.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 11' ' ' ASN . 43.9 p -77.36 169.55 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.919 -174.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 m -49.59 -46.69 49.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.919 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.516 HG12 ' HG2' ' A' ' 9' ' ' GLN . 44.7 mm -67.09 -43.44 88.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -177.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.477 ' CB ' HD13 ' A' ' 24' ' ' LEU . 20.7 mm-40 -63.21 -41.53 99.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.163 0.506 . . . . 0.0 110.104 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.479 HD13 HG22 ' A' ' 14' ' ' VAL . 64.8 tp -60.97 -41.71 96.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.268 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.601 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.0 mt -53.84 -52.08 61.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.891 175.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 7.3 mm-40 -58.09 -40.13 80.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.447 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 23.1 ttmm -69.03 -52.54 27.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.648 176.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.1 mt -55.8 -46.34 78.05 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.721 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.601 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 43.6 mtmt -57.95 -41.35 82.67 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.282 0.364 . . . . 0.0 111.006 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -69.05 -46.82 57.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.433 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 6.6 mm-40 -69.22 -19.07 63.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.188 0.518 . . . . 0.0 110.36 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 tp -84.62 -42.73 15.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.228 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -70.67 -20.84 62.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.397 -176.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.514 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 17.7 ptpt -77.58 -8.16 57.42 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.92 0.391 . . . . 0.0 110.455 175.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.0 mt -94.93 142.84 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -67.06 135.58 53.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.056 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.434 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 84.6 m-85 -67.7 -10.64 54.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.335 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.5 p -83.33 -14.35 53.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.92 0.391 . . . . 0.0 110.924 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -110.54 -37.82 5.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.654 -171.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 49' ' ' LEU . 2.6 pp -63.0 153.44 80.81 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.064 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.475 ' HD2' HD13 ' A' ' 49' ' ' LEU . 98.5 Cg_exo -45.03 145.14 3.28 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.674 2.916 . . . . 0.0 113.909 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.521 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 41.6 tp -60.25 -30.54 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.219 -177.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.03 -43.01 63.53 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.506 0.67 . . . . 0.0 110.671 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.691 ' HB2' HD11 ' A' ' 45' ' ' LEU . 27.4 mt -78.73 -17.1 56.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.907 -176.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -81.91 -18.93 41.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.87 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 47' ' ' LEU . 91.3 mttt -83.26 -34.43 25.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.911 177.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 58' ' ' GLN . 62.2 mt -85.23 134.63 34.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.282 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.78 -30.86 16.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.861 0.363 . . . . 0.0 111.283 -177.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -92.04 138.25 31.69 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.745 0.307 . . . . 0.0 110.828 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.548 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 12.7 tp -62.66 -48.07 86.75 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.659 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.8 Cg_endo -55.29 -38.09 94.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 122.247 1.965 . . . . 0.0 112.229 176.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -45.78 84.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.608 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.461 ' HB3' HD23 ' A' ' 49' ' ' LEU . 79.5 mt-30 -59.4 -51.22 70.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.761 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 62' ' ' LEU . . . -61.87 -40.53 95.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.657 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.57 -36.57 82.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.684 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.512 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 46.8 t60 -64.89 -27.56 68.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.226 0.536 . . . . 0.0 109.922 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 95.3 mt -64.64 -51.79 60.75 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.04 -36.23 66.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.676 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.512 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 3.5 p30 -86.81 -34.68 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -174.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 p -129.03 -36.86 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.6 m -128.83 124.59 35.76 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 119.772 -0.771 . . . . 0.0 112.725 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 64.4 m -117.09 101.59 8.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.21 0.528 . . . . 0.0 110.443 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -173.01 118.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.4 tp -157.59 111.74 2.61 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.105 -177.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.56 117.76 32.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 170.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' A' ' 36' ' ' GLU . 29.6 m -86.09 4.49 3.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.698 -171.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.55 111.46 1.2 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.337 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 56.93 70.72 0.63 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.84 19.02 74.79 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.949 -0.569 . . . . 0.0 113.585 171.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -114.63 120.54 40.5 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -107.55 151.05 26.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.286 0.565 . . . . 0.0 111.835 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.1 tp -119.41 112.1 18.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.694 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -125.2 132.94 52.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 34.7 p90 -118.82 122.17 41.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.196 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.538 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 2.0 m-85 -97.57 122.26 40.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.418 ' HA ' ' HD1' ' A' ' 12' ' ' PHE . . . -74.94 111.67 10.38 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m -122.16 126.61 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.677 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.464 ' HA ' ' HE ' ' A' ' 83' ' ' ARG . 1.3 mmp_? -105.67 120.64 42.2 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.8 tp -122.73 101.08 7.25 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.988 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -163.7 155.04 16.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.353 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.507 ' HG2' HD13 ' A' ' 87' ' ' LEU . 64.0 tttp -158.22 -66.69 0.09 Allowed 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.507 HD13 ' HG2' ' A' ' 86' ' ' LYS . 8.9 mp -117.37 136.95 52.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.73 176.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.59 79.29 1.9 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 169.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -142.42 27.39 1.72 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.042 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -145.14 35.42 1.1 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.714 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -73.6 112.87 10.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.723 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -101.2 37.53 1.75 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.015 176.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 66.9 105.89 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.521 -175.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.5 p80 . . . . . 0 C--O 1.245 0.817 0 CA-C-O 118.104 -0.95 . . . . 0.0 110.319 178.557 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.401 ' HE1' ' HD2' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.401 ' HD2' ' HE1' ' A' ' 1' ' ' MET . 13.2 Cg_exo -69.97 98.88 0.73 Allowed 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.351 2.034 . . . . 0.0 110.37 170.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 35.0 t70 -110.08 119.69 46.56 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.565 -174.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' ASP . 74.7 Cg_exo -55.76 146.2 67.68 Favored 'Trans proline' 0 CA--C 1.519 -0.241 0 C-N-CA 123.263 2.642 . . . . 0.0 113.26 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.763 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.3 pt? -88.72 143.49 26.88 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.157 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -15.53 60.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.052 -178.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -72.38 -59.07 2.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.644 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.454 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 26.4 tt0 -84.36 90.87 7.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.278 0.561 . . . . 0.0 110.695 -176.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.49 ' OE1' ' HB ' ' A' ' 25' ' ' THR . 43.0 mt-30 -138.76 155.92 47.79 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.152 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -104.2 162.47 13.16 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -106.52 115.79 30.82 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.521 0.677 . . . . 0.0 109.51 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 86.0 m-85 -110.7 131.08 55.36 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.258 -176.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 2.6 p -86.24 107.06 16.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.781 0.8 . . . . 0.0 109.723 177.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.0 t -93.51 123.99 45.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.078 -175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 mt -91.73 102.16 14.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.087 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.06 161.95 18.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.487 -176.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 m -92.4 -31.74 15.2 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.189 0.519 . . . . 0.0 110.133 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -95.72 -11.78 26.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.651 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 24.7 mm-40 -130.01 133.45 25.0 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.488 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 19' ' ' GLN . 35.9 Cg_exo -61.45 152.41 73.18 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.364 2.043 . . . . 0.0 111.43 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.58 109.81 1.3 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.43 0.633 . . . . 0.0 110.986 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 41.1 mt-30 -136.06 153.72 51.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.307 -177.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 14.5 p90 -94.56 111.67 23.43 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 28' ' ' GLU . 1.9 pp -121.63 175.15 6.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.11 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.49 ' HB ' ' OE1' ' A' ' 9' ' ' GLN . 50.1 p -80.57 162.56 24.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.776 -174.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -55.91 -39.72 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.635 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -60.28 -45.13 96.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.819 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.45 ' HB2' HD12 ' A' ' 24' ' ' LEU . 38.7 mt-10 -62.35 -39.84 94.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.07 -42.71 80.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.385 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.0 -55.36 35.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.391 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.67 -39.46 77.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.374 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -63.4 -53.8 46.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.0 mt -57.37 -44.82 84.72 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.011 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -57.81 -54.7 43.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.771 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -65.34 -46.88 84.59 Favored Glycine 0 C--O 1.24 0.506 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.133 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.04 73.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.635 -0.283 . . . . 0.0 111.494 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.3 tp -79.82 -37.36 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.349 0.406 . . . . 0.0 111.786 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 1.8 pp20? -68.68 -25.65 64.9 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.186 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -82.09 -5.18 58.21 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.235 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mp -85.49 140.23 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 170.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 m -60.56 138.96 57.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.018 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -63.68 -34.8 78.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.7 p -86.54 10.82 14.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.996 0.427 . . . . 0.0 111.077 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -113.24 -36.27 5.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.649 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 49' ' ' LEU . 3.2 pp -73.03 158.54 86.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.014 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HD2' HD12 ' A' ' 49' ' ' LEU . 86.4 Cg_exo -47.42 144.39 10.05 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.482 2.788 . . . . 0.0 113.631 -177.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.55 -28.22 69.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.146 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -61.33 -41.05 96.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.312 0.577 . . . . 0.0 109.599 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.612 ' HB2' HD11 ' A' ' 45' ' ' LEU . 48.7 mt -74.59 -27.58 60.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.902 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -68.0 -22.76 64.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.525 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -85.46 -29.11 24.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.076 0.465 . . . . 0.0 110.349 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.94 106.91 13.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.771 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.32 -24.51 63.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.421 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -93.74 124.53 37.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.522 ' HB3' ' HD3' ' A' ' 56' ' ' PRO . 59.4 tp -57.94 -46.25 99.72 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.226 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.522 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 51.6 Cg_exo -56.52 -38.17 95.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 121.844 1.696 . . . . 0.0 112.13 174.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.76 82.0 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.731 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.532 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 51.5 mt-30 -55.34 -52.16 64.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.488 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.62 95.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.398 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -63.6 -42.45 98.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.105 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -64.53 -30.68 71.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.994 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.847 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.7 mt -60.77 -50.19 74.44 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.554 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 73.6 mt -59.16 -45.76 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.695 177.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -64.9 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.128 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.18 70.17 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.042 0.449 . . . . 0.0 111.965 -176.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.847 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 57.5 m -146.05 -169.78 3.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.768 0.318 . . . . 0.0 110.412 170.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.487 ' HB3' ' OE1' ' A' ' 68' ' ' GLU . 60.5 m -103.2 -149.26 0.4 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.321 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.487 ' OE1' ' HB3' ' A' ' 67' ' ' CYS . 2.2 pm0 -94.64 165.18 12.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.858 0.361 . . . . 0.0 110.22 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -131.11 123.33 28.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.207 -174.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -83.91 132.95 34.74 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 168.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.441 HG22 ' HG3' ' A' ' 75' ' ' LYS . 27.5 m -112.33 26.64 3.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -168.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.18 176.53 51.53 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.229 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 59.03 15.88 4.31 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.921 0.488 . . . . 0.0 112.078 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.27 7.25 77.33 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 121.422 -0.418 . . . . 0.0 113.343 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.441 ' HG3' HG22 ' A' ' 71' ' ' VAL . 19.8 ptmt -100.35 140.81 34.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.194 0.497 . . . . 0.0 110.54 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -111.26 142.69 43.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.015 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.4 tp -114.35 112.2 22.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.502 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -122.58 131.87 54.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.327 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.554 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 30.8 p90 -136.61 137.64 40.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.846 0.355 . . . . 0.0 110.187 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -141.59 145.96 35.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.335 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.48 136.46 36.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.408 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.9 m -83.4 133.04 29.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -128.77 142.35 51.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.217 -173.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.26 -41.59 99.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.013 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -118.95 133.7 55.66 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.778 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -106.61 94.83 5.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.273 0.558 . . . . 0.0 110.791 -176.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.802 HD21 ' H ' ' A' ' 87' ' ' LEU . 1.7 pt? -88.15 -5.21 58.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.318 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -61.4 -24.68 66.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.231 176.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -75.89 75.09 2.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.072 0.463 . . . . 0.0 110.527 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -132.13 10.86 4.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.438 174.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -112.83 162.63 15.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.451 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -90.47 134.8 34.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.729 0.3 . . . . 0.0 110.827 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -126.16 107.56 10.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.915 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 80.0 m80 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.847 179.749 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tmm? . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -84.78 -77.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 122.877 2.384 . . . . 0.0 112.671 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -93.95 160.7 31.85 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.391 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.73 167.58 8.25 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.404 2.069 . . . . 0.0 111.331 174.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.497 HD11 ' HG3' ' A' ' 9' ' ' GLN . 2.3 pt? -52.12 131.65 32.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.277 -176.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 59.2 mtt -67.02 -40.23 87.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.314 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -88.06 81.13 7.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.01 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -53.8 135.04 42.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.735 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.621 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 27.4 mt-30 -80.43 102.74 9.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.373 176.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 25' ' ' THR . 15.3 m-20 -67.73 166.1 15.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.493 -177.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -106.55 125.7 51.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.407 0.622 . . . . 0.0 109.973 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -124.14 139.81 53.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.65 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.431 ' CG2' ' HB2' ' A' ' 80' ' ' TYR . 28.0 m -94.01 129.31 44.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.7 t -102.87 117.5 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.484 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.681 ' HA ' ' HB3' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -119.36 101.92 8.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.698 0.761 . . . . 0.0 109.705 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 75' ' ' LYS . 46.7 mt-10 -93.3 159.26 15.35 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.579 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.484 ' HB ' ' HA ' ' A' ' 75' ' ' LYS . 70.3 m -54.94 -43.96 73.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.617 176.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -79.43 -74.32 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.948 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -128.47 106.32 19.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.681 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 3.0 Cg_exo -76.38 127.4 9.73 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.923 2.416 . . . . 0.0 111.162 172.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -101.0 -169.69 1.74 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.737 0.303 . . . . 0.0 110.684 -178.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -81.32 -163.32 0.6 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.058 0.456 . . . . 0.0 110.979 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -86.51 145.97 26.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.383 -177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -143.28 172.97 12.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.542 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.621 ' HB ' ' HB3' ' A' ' 9' ' ' GLN . 81.1 p -85.84 170.47 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -172.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 m -52.43 -45.81 66.14 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.032 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.432 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 46.9 mm -61.94 -47.18 94.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.625 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 9.5 mm-40 -55.86 -46.02 78.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.016 176.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.8 tp -65.09 -44.57 88.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.8 mt -52.59 -51.86 57.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.755 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 19.8 mm-40 -65.14 -38.18 89.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.151 -174.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 3.7 ptpp? -79.76 -33.18 40.88 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.251 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.99 -45.91 92.91 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HG2' ' HG ' ' A' ' 55' ' ' LEU . 9.1 mtpp -57.3 -46.03 83.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.255 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.99 -48.64 78.83 Favored Glycine 0 C--O 1.237 0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 7.4 mm-40 -73.82 -18.71 60.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.704 0.287 . . . . 0.0 111.284 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.4 tp -82.93 -37.29 24.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.707 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -78.46 -16.69 57.29 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.099 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -81.93 -7.08 59.58 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.279 0.561 . . . . 0.0 109.602 172.129 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.5 mt -94.07 138.4 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.814 175.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.44 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 16.1 m -69.6 150.19 47.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.815 0.341 . . . . 0.0 110.535 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.502 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 85.4 m-85 -68.95 -14.79 63.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.2 t -85.48 -12.91 50.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.512 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD2' ' HB2' ' A' ' 41' ' ' SER . 29.5 m-20 -95.29 -39.13 10.21 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.895 0.378 . . . . 0.0 110.564 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.687 HD11 ' HB2' ' A' ' 49' ' ' LEU . 3.6 pp -72.68 146.37 88.22 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.41 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.487 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 22.2 Cg_endo -61.64 158.81 35.26 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.872 2.381 . . . . 0.0 113.519 -176.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.461 HD12 ' OE1' ' A' ' 50' ' ' GLN . 43.1 tp -52.42 -34.12 47.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.761 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -51.17 -47.76 62.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.687 ' HB2' HD11 ' A' ' 45' ' ' LEU . 24.1 mt -78.69 -15.31 58.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.547 -174.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.461 ' OE1' HD12 ' A' ' 47' ' ' LEU . 74.3 mt-30 -76.15 -33.11 59.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.032 0.444 . . . . 0.0 109.975 177.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -87.43 -23.3 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.045 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.41 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 96.2 mt -76.86 106.38 8.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.969 0.414 . . . . 0.0 109.927 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.91 -24.18 64.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.542 -173.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.6 m -100.08 129.65 46.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.276 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.575 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 17.7 tp -63.02 -46.05 86.84 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.536 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.7 Cg_endo -55.33 -39.14 92.64 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 121.939 1.759 . . . . 0.0 112.451 175.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.54 86.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.872 0.367 . . . . 0.0 110.793 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.518 ' HB3' HD23 ' A' ' 49' ' ' LEU . 77.0 mt-30 -62.97 -53.86 47.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.339 177.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.57 95.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.341 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.1 -36.58 84.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.45 -39.02 89.33 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.126 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.81 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.1 mt -59.47 -51.0 71.75 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.267 177.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.79 -48.97 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.567 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.7 -50.68 71.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.709 -175.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.9 t -164.87 78.99 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.784 0.802 . . . . 0.0 111.687 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.81 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 51.4 m -150.65 -174.97 4.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.609 169.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.2 m -101.64 -147.55 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.33 164.07 13.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.77 0.319 . . . . 0.0 110.519 -174.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.6 tp -121.55 117.29 26.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.197 -172.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -74.08 114.87 12.91 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 171.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 36' ' ' GLU . 10.2 m -110.98 23.38 4.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.106 0.479 . . . . 0.0 111.736 -172.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.97 174.34 50.3 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.998 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.18 18.21 11.13 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.179 0.592 . . . . 0.0 111.742 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.21 13.74 79.44 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.472 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.484 ' HA ' ' HB ' ' A' ' 17' ' ' THR . 34.1 ttpt -108.48 123.41 48.83 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.115 0.483 . . . . 0.0 110.387 -177.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -93.58 136.8 33.5 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.05 111.77 23.7 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.551 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . 5.7 tp-100 -116.86 131.39 56.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.903 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -128.41 129.47 46.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.176 0.512 . . . . 0.0 110.105 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.513 ' HD1' HD22 ' A' ' 15' ' ' LEU . 9.5 m-85 -105.82 123.13 47.45 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.679 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.67 111.22 13.22 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 171.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 m -140.86 102.61 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.448 0.642 . . . . 0.0 110.416 -176.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -93.04 160.66 14.76 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.492 -177.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' A' ' 84' ' ' LEU . 1.5 pp -76.34 3.53 10.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.672 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 62.44 88.1 0.1 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.109 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -103.04 -30.09 10.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.425 -173.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.5 tp -118.47 143.39 46.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.898 0.38 . . . . 0.0 111.107 -176.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.49 133.89 45.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.005 173.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.503 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 3.4 m-70 -126.72 15.71 7.51 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.503 ' HB2' ' O ' ' A' ' 89' ' ' HIS . 41.5 m-70 74.79 -54.22 0.67 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -168.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -117.84 121.2 40.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.349 172.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -101.42 172.37 7.02 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.65 -25.88 14.56 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.84 -169.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.909 176.451 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -80.25 -176.03 3.0 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.764 2.31 . . . . 0.0 112.309 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -74.39 149.69 86.76 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.221 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.05 -171.38 0.68 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.445 2.097 . . . . 0.0 112.18 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.549 ' CD1' ' HB3' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -74.88 165.97 24.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.073 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.0 mtt -74.12 42.87 0.15 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.663 0.385 . . . . 0.0 111.782 -175.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 50.76 60.17 4.07 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 122.106 0.955 . . . . 0.0 110.848 -173.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.549 ' HB3' ' CD1' ' A' ' 5' ' ' LEU . 20.5 tt0 -79.88 146.52 32.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.797 -1.547 . . . . 0.0 109.737 177.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -88.54 126.51 35.3 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.793 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -110.93 -158.79 0.66 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -111.93 136.77 50.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.469 0.652 . . . . 0.0 111.976 -171.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -117.2 123.96 47.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.27 174.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.8 t -86.39 113.58 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.415 HG22 HD12 ' A' ' 29' ' ' LEU . 65.7 t -109.5 125.13 66.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.731 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.3 mt -96.35 113.81 25.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.594 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.89 155.79 45.46 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.137 -175.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.2 m -102.27 -61.27 1.41 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.441 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -102.56 -6.09 23.21 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -172.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -116.47 96.56 48.26 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -66.51 127.66 17.71 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 123.273 2.648 . . . . 0.0 114.277 -168.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -178.5 156.54 0.93 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.9 172.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -106.5 -54.77 2.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.644 0.259 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -151.14 149.37 29.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -147.71 167.99 23.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.095 -178.618 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 p -81.92 168.2 18.15 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -48.4 -52.19 23.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.488 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -60.79 -44.04 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.407 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' A' ' 24' ' ' LEU . 4.2 mm-40 -65.92 -41.14 91.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 -177.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.415 HD12 HG22 ' A' ' 14' ' ' VAL . 66.3 tp -63.18 -40.9 98.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.495 178.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -56.82 -52.57 64.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.133 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.572 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 65.6 mm-40 -65.83 -31.07 71.82 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.56 -178.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -68.25 -49.48 60.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.643 0.258 . . . . 0.0 110.355 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.3 mt -58.08 -49.26 77.54 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.399 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.572 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 9.2 ptmm? -64.58 -22.38 66.96 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -177.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.624 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -84.22 -45.35 6.26 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.319 -0.944 . . . . 0.0 111.196 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 20.6 tp10 -64.01 -29.83 70.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.495 0.664 . . . . 0.0 109.762 177.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 tp -75.25 -40.35 58.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.625 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.624 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -72.9 -14.11 61.41 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.948 0.404 . . . . 0.0 110.86 -179.459 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 50.9 mtpt -65.8 -28.53 69.08 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.68 0.753 . . . . 0.0 109.962 169.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.5 mt -84.8 144.9 8.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.973 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -66.91 147.6 53.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.843 0.354 . . . . 0.0 110.702 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.418 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 79.7 m-85 -64.2 -26.85 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -172.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -95.69 -4.25 44.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.035 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -93.25 -32.4 14.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.103 0.478 . . . . 0.0 110.319 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.604 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.3 pp -73.4 164.94 57.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.793 178.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.526 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 97.7 Cg_exo -46.83 147.11 5.0 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.461 2.774 . . . . 0.0 113.704 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -43.58 96.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.49 -176.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.67 -38.73 75.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.56 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.604 ' HB2' HD13 ' A' ' 45' ' ' LEU . 31.4 mt -70.34 -29.94 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.243 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 42' ' ' PHE . 78.3 mt-30 -64.1 -35.06 79.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.321 177.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -81.89 -21.15 37.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.428 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 95.5 mt -76.21 105.75 7.43 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -69.79 -21.37 63.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.25 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.8 p -103.05 130.05 50.04 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.048 0.451 . . . . 0.0 110.607 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.596 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 36.8 tp -61.98 -46.59 91.98 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.855 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.5 Cg_endo -53.09 -36.02 74.86 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.261 1.974 . . . . 0.0 113.054 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.86 -36.6 78.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 110.965 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.428 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 74.5 mt-30 -60.94 -50.15 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.965 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.415 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -67.25 -34.56 77.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.835 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -66.12 -40.05 90.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.653 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -62.86 -36.9 84.8 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.676 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 96.4 mt -58.9 -51.77 68.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.585 175.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.01 -39.45 85.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.284 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.38 -67.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.627 -175.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.2 47.17 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.676 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 45.9 m -117.52 -177.73 3.3 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.979 178.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.5 p -102.91 -147.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.543 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -94.14 161.76 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 111.137 -173.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.4 tp -118.21 113.98 22.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.286 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.24 129.36 34.56 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.473 HG12 ' HG3' ' A' ' 36' ' ' GLU . 17.0 m -130.15 15.61 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.26 0.466 . . . . 0.0 112.26 -171.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.51 -155.18 52.89 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.792 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 58.9 16.48 4.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 122.923 0.489 . . . . 0.0 111.52 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.21 18.31 79.76 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.424 -177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' HE3' HG23 ' A' ' 71' ' ' VAL . 57.5 pttt -130.51 148.17 52.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.301 0.572 . . . . 0.0 111.03 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.86 131.03 56.98 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.3 tp -91.29 110.97 22.27 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -120.44 141.65 49.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.619 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -147.87 139.85 24.11 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -133.43 129.44 37.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.15 0.5 . . . . 0.0 110.349 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.12 134.72 44.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.064 -177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.9 m -123.51 104.17 13.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.249 0.547 . . . . 0.0 110.107 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -80.54 121.48 25.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.771 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.19 0.72 50.9 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 55.19 52.0 12.33 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.995 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -83.8 87.6 7.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.789 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.0 128.36 36.59 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 126.01 28.01 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.336 0.588 . . . . 0.0 112.312 -171.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -86.74 115.75 24.38 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 171.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -60.19 101.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.491 0.662 . . . . 0.0 111.041 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.465 ' O ' ' HB3' ' A' ' 92' ' ' HIS . 23.7 t60 -160.27 -179.78 8.01 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.465 ' HB3' ' O ' ' A' ' 91' ' ' HIS . 42.3 t-80 71.82 90.52 0.09 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.467 0.651 . . . . 0.0 109.671 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -115.86 -176.37 2.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.67 -176.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.9 p80 . . . . . 0 C--O 1.246 0.911 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.277 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -72.48 74.87 2.58 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.82 2.347 . . . . 0.0 111.509 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -75.41 163.03 70.3 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.551 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.92 -178.65 0.79 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.214 2.61 . . . . 0.0 113.452 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.586 HD12 ' HB3' ' A' ' 7' ' ' TYR . 2.2 pt? -63.26 164.17 9.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.186 -179.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.413 ' O ' ' HG2' ' A' ' 6' ' ' MET . 48.8 ttp -84.11 39.5 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.031 0.919 . . . . 0.0 109.221 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.586 ' HB3' HD12 ' A' ' 5' ' ' LEU . 44.0 t80 -157.33 -166.67 2.1 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 -176.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -150.43 116.28 5.57 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.652 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 14.7 mm100 -75.57 143.59 42.31 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.949 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -74.46 152.73 39.4 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.42 ' H ' HD21 ' A' ' 11' ' ' ASN . 0.0 OUTLIER -106.12 116.88 32.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.68 0.752 . . . . 0.0 109.344 176.784 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -100.56 132.11 46.12 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.311 -174.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.4 t -86.43 104.61 13.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.461 HG22 HD12 ' A' ' 29' ' ' LEU . 61.0 t -111.35 134.47 53.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.338 -176.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.6 mt -117.04 128.19 54.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.033 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -116.71 159.58 22.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.386 0.612 . . . . 0.0 111.773 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.541 ' HB ' ' HB2' ' A' ' 75' ' ' LYS . 26.7 m -70.68 -50.14 39.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.867 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.42 -47.94 65.93 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.787 -169.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 20.0 mt-30 -134.8 146.51 59.15 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 19' ' ' GLN . 8.2 Cg_exo -72.26 127.06 12.27 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.566 2.178 . . . . 0.0 111.581 177.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -121.59 157.58 30.45 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -110.37 -66.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.108 -177.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -158.0 153.82 26.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.808 -177.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 24' ' ' LEU . 1.8 pt? -151.52 163.14 39.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.484 176.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p -79.99 167.74 20.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.317 0.579 . . . . 0.0 112.031 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.652 ' HB ' ' NE2' ' A' ' 9' ' ' GLN . 10.9 m -49.07 -43.66 41.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.873 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 49.0 mm -67.3 -40.11 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.51 -40.59 70.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.783 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.461 HD12 HG22 ' A' ' 14' ' ' VAL . 45.7 tp -62.13 -37.04 83.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.018 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 18.3 mt -54.42 -58.07 8.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.456 173.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.494 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 4.4 mm-40 -56.87 -40.02 75.42 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.072 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -65.02 -47.74 76.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.826 0.346 . . . . 0.0 110.688 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.4 ' HA ' HD21 ' A' ' 33' ' ' LEU . 50.2 mt -67.41 -48.24 67.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.866 -177.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 10.0 ptmm? -64.52 -26.72 68.55 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.28 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -71.71 -44.55 48.17 Favored Glycine 0 C--O 1.238 0.362 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.006 177.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.586 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 27.4 mt-10 -80.48 -18.64 48.03 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.961 -0.729 . . . . 0.0 110.385 179.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -76.49 -37.97 55.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.629 174.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 12.4 pt-20 -70.66 -30.93 67.68 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.911 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.586 ' HG2' ' HA ' ' A' ' 36' ' ' GLU . 7.8 ptpp? -79.7 -12.36 59.81 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.005 175.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.445 HD11 ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -81.89 143.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.53 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 m -68.61 144.02 54.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.066 0.46 . . . . 0.0 111.228 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -68.83 -16.72 63.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.595 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 p -90.53 -5.2 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.295 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.8 -27.57 8.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.619 -174.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 49' ' ' LEU . 3.0 pp -72.86 154.37 91.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 176.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.505 ' HD2' HD13 ' A' ' 49' ' ' LEU . 71.9 Cg_exo -51.19 147.84 19.69 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.188 2.592 . . . . 0.0 113.606 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.81 -33.26 72.74 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.289 -176.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -57.55 -38.09 74.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.918 0.39 . . . . 0.0 110.498 177.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.56 ' HB2' HD11 ' A' ' 45' ' ' LEU . 24.5 mt -73.24 -31.55 64.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.274 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -63.94 -29.15 70.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.523 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -83.08 -28.02 29.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.869 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -74.99 109.15 8.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.134 0.493 . . . . 0.0 110.721 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.46 -28.55 67.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.261 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 m -94.97 130.02 41.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.933 0.397 . . . . 0.0 111.202 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.556 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 40.6 tp -61.39 -47.7 92.98 Favored Pre-proline 0 CA--C 1.542 0.663 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.975 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.4 Cg_endo -56.06 -38.32 94.97 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.123 1.882 . . . . 0.0 112.617 177.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.0 94.61 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.918 0.39 . . . . 0.0 110.833 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 55' ' ' LEU . 46.3 mt-30 -60.83 -50.41 73.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.027 177.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.95 89.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -65.6 -41.39 92.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.059 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -55.7 -38.49 69.76 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.074 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.525 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.0 mt -63.2 -58.25 7.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.079 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 89.5 mt -49.79 -37.71 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.612 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.24 -55.22 6.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.58 -172.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.1 t -144.1 -0.37 1.01 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.525 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 39.5 m -125.26 124.8 42.45 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.396 -0.815 . . . . 0.0 112.14 -175.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 67.3 m -131.52 100.12 5.04 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.947 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 67' ' ' CYS . 7.6 mm-40 -173.91 118.28 0.26 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.159 175.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.6 tp -151.96 110.77 3.83 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.267 0.556 . . . . 0.0 111.382 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -88.55 95.5 10.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.119 173.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.447 HG22 ' HE3' ' A' ' 75' ' ' LYS . 30.2 m -87.32 -19.39 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.587 -175.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 73.72 -151.99 45.33 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.032 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 60.68 13.28 4.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.773 0.429 . . . . 0.0 111.896 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.67 5.03 88.64 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.757 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.541 ' HB2' ' HB ' ' A' ' 17' ' ' THR . 48.1 pttt -121.14 168.97 10.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.367 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -137.46 139.88 40.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.529 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 tp -115.97 128.3 55.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.381 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.26 159.23 42.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.93 174.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.479 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 24.3 p90 -144.87 136.72 25.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.083 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -101.87 98.29 8.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.769 0.795 . . . . 0.0 109.707 173.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.48 118.29 12.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.388 -175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.0 m -110.02 104.4 17.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.361 0.601 . . . . 0.0 110.537 177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 84' ' ' LEU . 90.8 mtt180 -90.14 126.64 35.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.851 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 83' ' ' ARG . 9.7 mp 72.18 -63.8 0.41 Allowed 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.622 0.576 . . . . 0.0 111.549 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 68.45 -64.54 0.3 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.752 0.821 . . . . 0.0 111.627 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -80.86 153.54 27.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.011 -173.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 56.0 tp -71.93 129.57 38.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.6 118.06 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.212 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.442 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 16.1 t60 -83.42 -27.56 29.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.245 -179.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 89' ' ' HIS . 48.7 m-70 70.4 166.53 0.29 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.936 0.773 . . . . 0.0 111.218 -177.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.0 t60 71.76 10.22 6.3 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.417 172.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 64.02 -174.37 0.16 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.243 0.544 . . . . 0.0 111.16 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -150.93 145.41 25.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.738 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.5 m170 . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.247 -0.882 . . . . 0.0 109.927 176.717 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -84.36 120.3 2.48 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.076 2.517 . . . . 0.0 111.779 178.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -99.11 108.12 47.93 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.311 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -84.64 158.13 12.25 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.501 2.134 . . . . 0.0 112.762 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.509 ' H ' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -92.12 -20.82 20.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.362 -178.468 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.3 mtt 70.6 -53.43 0.66 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.645 0.778 . . . . 0.0 112.292 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -65.12 -49.09 71.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.922 0.391 . . . . 0.0 111.4 -173.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -73.87 110.3 8.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.359 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.5 pm0 -88.52 169.45 11.74 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.991 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.01 -179.15 5.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.8 0.334 . . . . 0.0 111.053 -178.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -142.1 152.26 43.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.089 0.471 . . . . 0.0 110.998 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -130.37 153.9 48.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.372 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -89.37 117.28 32.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.321 0.581 . . . . 0.0 109.714 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -99.71 120.39 49.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.778 -174.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt -107.08 116.2 31.52 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.334 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -130.2 157.46 42.42 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.479 ' OG1' ' HA ' ' A' ' 75' ' ' LYS . 32.6 m -67.82 -29.29 68.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.255 -178.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -98.54 -49.32 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.393 -176.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 48.8 mt-30 -85.23 145.66 43.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.766 0.317 . . . . 0.0 110.923 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 19' ' ' GLN . 29.4 Cg_exo -62.9 157.71 46.91 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.766 2.311 . . . . 0.0 111.893 174.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -61.65 103.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.41 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -123.22 165.31 17.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.243 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -118.61 131.97 56.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.943 0.402 . . . . 0.0 109.983 176.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 pp -138.19 163.22 32.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.623 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.64 169.3 17.82 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.47 -53.55 36.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.75 -175.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 mm -59.79 -41.56 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.272 0.558 . . . . 0.0 110.896 -175.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -60.75 -44.02 97.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.427 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.1 tp -68.04 -36.84 80.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.216 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.2 mt -55.44 -57.45 11.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.191 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.48 -29.59 70.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.416 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -67.9 -50.44 56.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.74 -45.15 94.05 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.36 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -51.66 -46.46 63.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.54 -44.73 57.09 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.807 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' HD13 ' A' ' 40' ' ' ILE . 44.5 mt-10 -75.55 -19.08 59.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.977 0.418 . . . . 0.0 110.942 -177.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' ' 58' ' ' GLN . 60.9 tp -81.27 -42.57 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.827 176.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.39 -24.5 64.78 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.247 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HB2' ' HE2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -83.13 -10.76 58.48 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.805 175.71 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.566 HG22 HD21 ' A' ' 45' ' ' LEU . 1.1 mp -81.86 141.91 14.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 m -70.35 143.25 52.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.73 0.3 . . . . 0.0 110.835 -177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.53 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 88.2 m-85 -65.35 -20.33 66.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.173 0.511 . . . . 0.0 110.701 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -75.9 -17.08 59.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.77 177.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -103.25 -33.17 9.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.933 -174.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.566 HD21 HG22 ' A' ' 40' ' ' ILE . 3.9 pp -78.17 147.82 73.59 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.406 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.584 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 19.6 Cg_endo -58.4 156.05 32.81 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 123.049 2.499 . . . . 0.0 113.411 -176.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.43 ' HG ' ' HE2' ' A' ' 51' ' ' LYS . 64.7 tp -61.5 -27.89 68.91 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.225 -177.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -57.03 -42.6 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.584 ' HG ' ' HG2' ' A' ' 46' ' ' PRO . 44.8 mt -75.48 -27.31 58.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.276 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -67.92 -29.95 69.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.589 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.43 ' HE2' ' HG ' ' A' ' 47' ' ' LEU . 68.1 mttm -81.61 -33.62 31.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.948 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.34 111.64 3.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.15 0.5 . . . . 0.0 110.246 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -73.29 -15.31 61.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.321 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 p -111.13 128.49 55.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.095 0.474 . . . . 0.0 111.388 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.585 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 54.0 tp -57.53 -46.9 99.74 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.939 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.3 Cg_endo -53.41 -41.91 69.5 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.304 2.003 . . . . 0.0 112.824 176.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.01 81.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.64 0.257 . . . . 0.0 110.856 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' HB3' HD22 ' A' ' 37' ' ' LEU . 80.2 mt-30 -59.54 -54.78 42.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.459 176.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.82 -37.8 88.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.047 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.24 -42.83 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.555 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 37.3 t60 -67.74 -32.39 72.97 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.19 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 59' ' ' ALA . 92.4 mt -59.18 -46.37 88.57 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 173.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.7 mt -61.63 -37.32 77.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.994 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.555 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 57.5 m-20 -59.28 -39.03 81.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.064 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 66' ' ' SER . 1.8 t -106.76 -79.03 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.806 -0.357 . . . . 0.0 111.513 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.441 ' H ' HG23 ' A' ' 65' ' ' THR . 18.0 m 162.28 173.37 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.199 1.4 . . . . 0.0 108.184 -171.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.41 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 48.1 t 179.72 154.0 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -110.41 117.5 33.76 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.1 tp -118.0 116.34 26.7 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.835 -170.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -81.29 115.69 20.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 169.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 75' ' ' LYS . 12.6 m -85.88 7.36 2.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.906 0.384 . . . . 0.0 111.772 -172.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.01 -36.55 3.79 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.018 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.45 21.85 2.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.878 0.37 . . . . 0.0 111.384 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.34 -3.43 77.71 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.365 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . 39.9 mtmt -89.38 137.72 32.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -111.6 120.78 43.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.958 0.408 . . . . 0.0 110.031 178.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -89.32 117.02 27.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.411 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -129.3 141.03 51.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.899 178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.41 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 9.5 p90 -149.6 148.12 28.95 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -142.05 153.44 44.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 170.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.77 134.93 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.705 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.7 m -103.7 104.34 16.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.433 0.635 . . . . 0.0 110.731 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -132.1 121.81 24.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.989 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.774 ' HB2' ' HA ' ' A' ' 87' ' ' LEU . 1.6 pt? -101.46 -36.1 8.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.309 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 62.06 -83.28 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.874 0.734 . . . . 0.0 110.628 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 50.4 mttm -108.76 28.86 7.99 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.774 ' HA ' ' HB2' ' A' ' 84' ' ' LEU . 8.4 mp 70.52 -57.27 0.58 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -165.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -71.22 113.04 7.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 169.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -108.29 28.61 8.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.581 0.705 . . . . 0.0 109.646 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -64.89 -34.76 79.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.478 -1.237 . . . . 0.0 112.31 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -60.03 -38.02 81.49 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.679 -174.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 47.71 -93.77 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.147 0.579 . . . . 0.0 111.62 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 34.5 m170 59.97 -171.33 0.13 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.251 0.548 . . . . 0.0 111.715 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.239 -0.886 . . . . 0.0 109.294 172.612 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.683 0.278 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.62 92.38 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.284 1.989 . . . . 0.0 112.341 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.05 124.54 82.9 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.529 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -81.9 19.58 1.21 Allowed 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.184 2.589 . . . . 0.0 113.711 -174.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -151.13 143.63 24.27 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 79.9 mmm -84.75 -33.88 22.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.946 0.403 . . . . 0.0 110.698 -176.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.36 97.7 7.72 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.533 HE21 ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -65.46 -36.7 84.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.971 -173.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HG2' HG12 ' A' ' 27' ' ' ILE . 47.6 mt-30 -106.92 141.12 38.64 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.49 0.662 . . . . 0.0 112.404 -170.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.491 ' O ' ' HA ' ' A' ' 25' ' ' THR . 5.2 t70 -115.52 -173.49 2.34 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 169.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.51 129.1 56.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.587 0.708 . . . . 0.0 111.451 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.509 ' HE2' ' HG1' ' A' ' 26' ' ' THR . 96.9 m-85 -128.44 134.78 48.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.839 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.551 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . 7.6 p -86.68 119.78 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.442 0.639 . . . . 0.0 109.744 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.418 ' CG2' HD13 ' A' ' 29' ' ' LEU . 58.2 t -107.31 114.87 47.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.727 -175.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.1 mt -91.36 101.99 14.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.733 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 19' ' ' GLN . 1.2 tm-20 -104.17 157.93 16.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.737 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -86.85 -45.46 10.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.743 0.306 . . . . 0.0 111.179 -174.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -79.49 -51.88 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.056 0.455 . . . . 0.0 110.781 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.466 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 15.3 mm100 -109.29 102.26 48.58 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.35 127.2 16.95 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.067 1.845 . . . . 0.0 110.351 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -137.81 162.88 32.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.77 0.319 . . . . 0.0 110.427 -173.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -96.27 -141.88 0.27 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.984 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 29.0 p90 -91.04 126.83 36.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.041 0.448 . . . . 0.0 110.944 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.32 172.57 7.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.803 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 9.9 p -81.79 161.55 23.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.205 0.526 . . . . 0.0 112.299 -174.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.509 ' HG1' ' HE2' ' A' ' 12' ' ' PHE . 14.6 m -53.93 -44.63 70.77 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.111 -174.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.434 HG12 ' HG2' ' A' ' 9' ' ' GLN . 38.2 mm -67.05 -39.36 83.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.95 0.405 . . . . 0.0 110.809 -177.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.09 -41.06 95.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.959 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD13 ' CG2' ' A' ' 14' ' ' VAL . 38.6 tp -63.51 -41.67 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.459 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -56.61 -51.51 68.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.495 -179.465 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.44 -34.09 77.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.585 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -62.48 -49.77 74.07 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 173.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.42 -42.51 96.17 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.232 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 56.4 mtpt -55.72 -53.13 60.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.622 0.249 . . . . 0.0 110.584 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.34 -43.22 95.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.495 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.545 ' O ' HD11 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -71.22 -19.57 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.677 0.275 . . . . 0.0 111.388 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 tp -86.33 -39.1 16.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.635 0.255 . . . . 0.0 110.933 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HB3' HD22 ' A' ' 55' ' ' LEU . 13.0 pt-20 -73.41 -20.0 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.637 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -80.02 -5.11 55.18 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.542 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.545 HD11 ' O ' ' A' ' 36' ' ' GLU . 1.7 mp -99.13 145.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 172.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.534 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 22.9 t -56.22 133.8 52.68 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.245 0.545 . . . . 0.0 110.957 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -69.59 -19.08 63.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.893 -175.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.1 p -93.88 -8.33 40.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 3.8 m-20 -115.62 -9.65 11.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.861 -172.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.631 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.1 pp -68.07 158.16 84.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.51 175.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' HD13 ' A' ' 49' ' ' LEU . 84.5 Cg_exo -44.06 143.38 3.32 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.559 2.839 . . . . 0.0 114.233 -175.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.31 -29.93 67.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.983 -176.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.2 -35.2 79.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.401 0.62 . . . . 0.0 110.672 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.631 ' HB2' HD13 ' A' ' 45' ' ' LEU . 28.9 mt -75.83 -20.5 58.12 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.683 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -76.81 -25.57 53.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.177 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -72.32 -34.83 68.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.244 0.545 . . . . 0.0 110.023 174.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 43.1 mt -79.7 137.68 37.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.266 175.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -85.08 -37.78 19.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.955 0.407 . . . . 0.0 111.209 -173.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 8.7 t -102.7 144.25 31.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -173.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 25.5 tp -62.79 -50.46 77.53 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.243 -177.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.9 Cg_endo -55.32 -39.22 92.19 Favored 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 122.102 1.868 . . . . 0.0 112.26 177.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.38 83.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.397 . . . . 0.0 110.687 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.507 ' HB3' HD23 ' A' ' 49' ' ' LEU . 78.3 mt-30 -62.24 -51.56 67.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.655 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.53 86.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.26 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -45.64 83.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.193 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -62.45 -26.53 68.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.8 -50.72 67.87 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.2 mt -56.03 -32.46 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.528 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -68.98 -70.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.73 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -103.74 -41.28 5.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 m -127.46 124.99 39.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -164.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.401 ' HA ' ' CZ2' ' A' ' 79' ' ' TRP . 13.8 p -114.48 101.24 8.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.423 . . . . 0.0 109.895 175.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.6 125.17 0.38 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.185 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.0 tp -167.67 131.82 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 2.1 p30 -110.33 148.05 32.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 168.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.483 ' HA ' HD13 ' A' ' 40' ' ' ILE . 27.0 m -119.92 19.6 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.831 -171.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.68 -172.2 32.45 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.247 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.02 97.93 5.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.965 0.412 . . . . 0.0 110.705 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.22 3.15 56.73 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.698 -0.683 . . . . 0.0 113.02 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -131.74 140.98 49.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.228 0.537 . . . . 0.0 111.059 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 70' ' ' ASP . 35.9 p90 -137.94 170.27 16.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.784 -175.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 36' ' ' GLU . 31.9 tp -136.6 112.22 9.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.588 177.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -132.06 139.74 48.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.021 0.438 . . . . 0.0 111.121 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.401 ' CZ2' ' HA ' ' A' ' 67' ' ' CYS . 18.3 p90 -135.85 146.81 47.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.691 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -140.25 151.2 44.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.857 0.36 . . . . 0.0 110.467 175.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.18 118.11 15.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.565 -174.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 m -104.9 105.23 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.499 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -112.74 120.14 40.48 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.357 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.6 tp -81.61 56.45 2.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.192 0.52 . . . . 0.0 110.813 -174.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -168.32 144.0 3.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.284 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.527 ' HD2' ' O ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -138.65 89.68 2.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.847 175.204 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.8 ' H ' HD23 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -64.06 -93.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.74 -177.833 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.722 ' H ' ' HG ' ' A' ' 87' ' ' LEU . 36.3 mm-40 52.63 -166.53 0.06 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.219 0.533 . . . . 0.0 111.68 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.5 m80 61.0 18.81 9.28 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.464 167.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -82.63 61.53 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.568 0.699 . . . . 0.0 110.636 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -161.52 -176.02 5.1 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -78.08 89.08 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.704 -0.799 . . . . 0.0 108.844 169.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -57.29 -37.46 72.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.283 -174.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.407 178.373 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 24.3 ttt . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.614 0.245 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 17.5 Cg_exo -67.38 140.09 51.66 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.566 2.177 . . . . 0.0 111.369 175.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.414 ' HB3' ' HD2' ' A' ' 4' ' ' PRO . 10.9 m-20 -78.83 165.43 49.39 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.619 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 3' ' ' ASP . 74.0 Cg_exo -49.75 163.6 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.344 2.696 . . . . 0.0 113.585 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.721 HD21 ' H ' ' A' ' 5' ' ' LEU . 1.4 pt? -77.32 20.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.652 -173.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.468 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 23.7 ttt 75.12 -43.21 0.5 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.55 0.74 . . . . 0.0 110.601 -178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -90.22 -143.44 0.16 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 173.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -168.63 -50.51 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.51 ' HB2' ' HB ' ' A' ' 26' ' ' THR . 19.4 pm0 -72.76 148.81 44.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.433 172.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.11 -177.37 6.42 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.972 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -121.25 134.32 55.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.444 0.64 . . . . 0.0 110.826 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.57 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 9.4 m-85 -109.03 138.11 45.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.939 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.8 m -89.63 100.08 10.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 172.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG23 HD13 ' A' ' 29' ' ' LEU . 91.4 t -92.72 114.07 28.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.699 -174.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.8 mt -97.99 110.69 23.22 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.334 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -116.63 155.13 29.3 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.506 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -54.61 -30.9 56.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.898 0.38 . . . . 0.0 111.658 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -109.6 3.92 21.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.024 0.44 . . . . 0.0 110.979 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -154.73 83.49 3.95 Favored Pre-proline 0 C--N 1.328 -0.343 0 O-C-N 122.098 -0.376 . . . . 0.0 111.772 -176.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -87.61 163.84 7.88 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.742 2.295 . . . . 0.0 112.379 173.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 64.27 21.27 12.47 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 167.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 22' ' ' GLN . 6.0 tp60 -113.85 134.25 54.91 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.674 -0.641 . . . . 0.0 111.291 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -113.75 143.27 44.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.998 177.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.78 159.77 43.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.886 178.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.435 ' HB ' ' HG3' ' A' ' 9' ' ' GLN . 35.7 p -76.78 162.35 27.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.805 0.336 . . . . 0.0 111.621 -176.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' A' ' 9' ' ' GLN . 5.4 m -50.82 -41.51 57.58 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.198 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.4 -43.73 97.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.749 0.309 . . . . 0.0 110.629 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.48 -43.15 98.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.491 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.428 HD13 HG23 ' A' ' 14' ' ' VAL . 65.4 tp -63.92 -39.06 93.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.758 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -58.4 -49.95 75.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.73 -33.17 70.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.746 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HG2' ' OE1' ' A' ' 36' ' ' GLU . 64.5 tttm -64.12 -52.5 58.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.908 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.7 mt -56.36 -44.49 80.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.243 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 8.3 mtmp? -55.51 -49.93 71.28 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.321 -178.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.28 -43.97 97.68 Favored Glycine 0 C--O 1.235 0.217 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.487 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 48.2 mt-10 -71.38 -33.03 69.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.743 0.306 . . . . 0.0 110.682 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.9 tp -72.55 -42.72 64.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.952 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 8.6 pt-20 -71.51 -20.71 62.01 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.454 -177.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 19.7 pttp -89.9 3.59 52.55 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.981 0.42 . . . . 0.0 110.398 175.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mp -93.15 145.52 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -68.39 137.31 54.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.675 0.274 . . . . 0.0 110.341 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -57.98 -27.62 63.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.425 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 m -67.14 -27.54 67.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.224 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -86.96 -34.94 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.803 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 pp -76.43 151.03 82.96 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.557 0.218 . . . . 0.0 111.166 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.539 ' HD2' HD12 ' A' ' 49' ' ' LEU . 93.0 Cg_exo -45.94 148.8 2.54 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.967 3.112 . . . . 0.0 114.22 -178.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.8 -38.23 87.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.529 -176.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -66.22 -30.21 70.62 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.632 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.539 HD12 ' HD2' ' A' ' 46' ' ' PRO . 36.9 mt -73.42 -28.23 61.87 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 176.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.39 -29.06 68.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.055 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -76.71 -32.74 58.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.568 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.65 109.42 9.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.604 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -76.2 -20.44 57.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.878 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -90.92 125.62 35.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.221 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.567 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 19.6 tp -63.9 -47.86 79.85 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.635 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 15.1 Cg_endo -56.31 -34.27 93.48 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.179 1.919 . . . . 0.0 112.319 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.47 92.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.706 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -64.8 -49.88 68.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.404 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.35 96.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.957 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' HG2' HD23 ' A' ' 30' ' ' LEU . 3.7 mm-40 -60.77 -43.74 97.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 176.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -55.97 -46.4 78.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.182 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -55.22 -53.73 52.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.826 178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.537 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 80.7 mt -55.04 -39.7 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.706 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -84.43 -16.75 41.52 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -174.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.7 p -105.23 -63.87 1.19 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 m -154.47 159.78 41.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.879 0.371 . . . . 0.0 111.839 -172.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 78' ' ' GLN . 11.7 t -102.53 104.08 14.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.892 175.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -171.64 117.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.701 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.4 tp -166.76 135.34 2.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.881 0.372 . . . . 0.0 110.661 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -98.1 112.83 24.65 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 172.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 75' ' ' LYS . 18.9 m -91.3 19.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.855 0.36 . . . . 0.0 111.715 -172.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 74.15 174.82 31.73 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.351 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.89 14.93 8.74 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.042 0.537 . . . . 0.0 111.665 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.39 18.37 66.69 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.085 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 71' ' ' VAL . 43.7 mtmt -108.76 143.8 37.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.022 0.439 . . . . 0.0 110.776 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -108.59 157.63 18.32 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.4 tp -129.4 118.26 21.9 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.467 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.446 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 26.0 mt-30 -113.52 130.77 56.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.644 171.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.537 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 24.8 p90 -137.99 122.31 18.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.208 0.528 . . . . 0.0 109.902 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -141.34 131.95 25.53 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.188 0.518 . . . . 0.0 110.329 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.57 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . . . -75.71 135.07 40.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.777 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.1 m -82.97 101.65 7.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 122.112 0.958 . . . . 0.0 109.594 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -130.78 119.08 21.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.678 -1.146 . . . . 0.0 107.956 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' A' ' 88' ' ' GLU . 17.3 tp -152.14 -85.0 0.08 Allowed 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -175.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.433 ' H ' ' HB3' ' A' ' 84' ' ' LEU . 15.7 mm-40 42.59 -87.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 O-C-N 124.623 1.202 . . . . 0.0 112.79 173.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.403 ' H ' ' HB2' ' A' ' 85' ' ' GLU . 19.3 ptmt -55.38 -39.8 70.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.677 -177.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.9 tp -168.81 159.78 9.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.867 0.365 . . . . 0.0 111.432 -176.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.584 ' HA ' HD11 ' A' ' 84' ' ' LEU . 8.4 tp10 -73.27 164.54 26.52 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.566 172.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -49.15 120.68 4.16 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 176.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -82.93 73.34 9.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.319 0.581 . . . . 0.0 110.868 -172.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -124.84 138.44 54.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.484 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -137.24 20.19 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.868 0.366 . . . . 0.0 111.142 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -73.13 -31.4 64.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.588 170.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.856 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 27.2 ttt . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 119.729 -0.177 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.856 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 7.0 Cg_exo -74.77 -19.84 18.04 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.695 1.597 . . . . 0.0 110.443 174.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.55 123.15 72.64 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.855 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.02 -20.83 28.44 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.163 1.909 . . . . 0.0 111.801 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.8 tp -168.73 82.96 0.15 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.831 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.8 ttt -80.2 -30.16 38.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.256 0.55 . . . . 0.0 110.777 -177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -83.19 6.49 19.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.013 -176.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 62.82 -168.31 0.2 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.877 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.469 ' HG2' HG21 ' A' ' 25' ' ' THR . 34.3 tt0 -63.93 107.02 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.234 0.54 . . . . 0.0 109.869 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -112.24 176.99 4.79 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.539 -176.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -108.65 135.93 49.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.045 0.45 . . . . 0.0 110.891 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.11 134.45 53.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.959 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.9 t -87.75 107.33 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.489 HG23 HD13 ' A' ' 29' ' ' LEU . 43.4 t -100.89 104.24 15.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.073 0.463 . . . . 0.0 110.267 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.444 ' HB2' ' HE2' ' A' ' 80' ' ' TYR . 74.8 mt -93.13 102.24 14.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 19' ' ' GLN . 26.1 tt0 -90.76 161.4 15.33 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 m -51.09 -34.1 28.88 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -120.08 9.28 11.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.491 ' HB2' ' HB3' ' A' ' 16' ' ' GLU . 3.8 mm100 -123.76 100.78 37.08 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 121.1 0.476 . . . . 0.0 111.872 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -86.36 136.8 4.85 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 123.115 2.544 . . . . 0.0 113.187 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 60.43 32.51 20.6 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 174.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -89.23 91.82 8.93 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.826 175.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -98.83 134.49 41.63 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.456 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.446 HD22 ' N ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -140.58 163.16 33.6 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.05 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.469 HG21 ' HG2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -80.55 170.45 16.33 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.602 -173.565 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 m -51.65 -49.16 62.86 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -173.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 mm -67.11 -46.18 85.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.961 0.41 . . . . 0.0 111.297 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -63.05 -36.86 84.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.008 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.489 HD13 HG23 ' A' ' 14' ' ' VAL . 47.5 tp -66.51 -38.05 86.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.395 175.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -46.47 87.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.569 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 34' ' ' LYS . 36.9 mt-10 -66.97 -35.49 80.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.587 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -67.15 -48.33 68.36 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.216 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.3 mt -64.79 -39.07 93.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.624 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 31' ' ' GLU . 14.1 ptmm? -66.18 -27.21 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.605 -178.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -75.08 -50.62 8.35 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.583 -0.817 . . . . 0.0 111.696 175.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' HD12 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -59.85 -39.76 86.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 177.691 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.87 -41.32 74.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.444 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 15.7 pt-20 -71.89 -21.64 61.61 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.356 -175.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -88.43 -4.87 58.56 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.654 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -93.47 143.05 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 174.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.04 141.09 57.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.559 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 91.0 m-85 -63.39 -29.22 70.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.976 -178.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 p -71.31 -14.74 62.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.509 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.17 -39.31 10.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.449 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.705 HD12 ' HB2' ' A' ' 49' ' ' LEU . 4.0 pp -74.23 156.49 87.46 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.869 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.595 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 17.1 Cg_endo -58.41 149.55 73.71 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.034 2.489 . . . . 0.0 113.147 -177.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.52 -30.3 71.18 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.305 -173.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 52.6 mm-40 -60.04 -33.85 72.6 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.175 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.705 ' HB2' HD12 ' A' ' 45' ' ' LEU . 42.1 mt -70.33 -33.96 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.008 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.87 -27.31 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 110.506 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -80.24 -27.21 38.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.469 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 78.2 mt -77.02 123.53 26.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.189 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.27 -37.09 74.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.863 -174.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 28.2 m -100.37 137.9 38.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 -175.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.564 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -61.22 -47.6 93.98 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.472 176.382 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 7.4 Cg_endo -50.72 -39.75 56.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.008 1.806 . . . . 0.0 111.89 174.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -42.8 91.04 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.458 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.469 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 77.6 mt-30 -59.68 -55.52 33.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.212 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.3 -33.96 75.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.458 -176.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -64.56 -40.95 96.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.645 177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -68.12 -29.59 68.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.667 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.521 HD21 HD11 ' A' ' 49' ' ' LEU . 95.8 mt -61.78 -50.36 72.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.096 174.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.64 -38.74 79.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.756 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.87 -43.14 99.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.888 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.665 ' O ' ' HB2' ' A' ' 66' ' ' SER . 20.9 p -96.9 -81.53 0.42 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.665 ' HB2' ' O ' ' A' ' 65' ' ' THR . 1.9 t 149.91 169.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.281 1.432 . . . . 0.0 108.041 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.456 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 46.3 t -173.54 147.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.808 0.337 . . . . 0.0 110.489 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.82 117.08 31.33 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 172.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.3 tp -127.19 134.0 50.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.057 -170.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 3.4 p-10 -101.15 135.93 41.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 171.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.6 m -103.12 16.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.202 -173.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.63 145.21 16.14 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.768 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.41 28.33 13.6 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.066 0.547 . . . . 0.0 111.65 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.2 0.2 90.06 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.115 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -83.69 128.52 34.59 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 70' ' ' ASP . 42.7 m-85 -107.99 147.98 30.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.251 0.548 . . . . 0.0 111.21 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.3 tp -118.24 124.93 49.07 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.797 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -137.51 130.23 30.05 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.456 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 29.0 p90 -108.12 128.99 55.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.211 0.529 . . . . 0.0 109.751 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.444 ' HE2' ' HB2' ' A' ' 15' ' ' LEU . 87.5 m-85 -102.35 110.44 22.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.651 -177.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.92 110.48 15.34 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 170.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.66 103.49 3.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.435 0.636 . . . . 0.0 110.568 -174.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.2 mtp-105 -107.97 120.34 42.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.773 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.7 tp -142.28 -62.67 0.44 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.175 0.512 . . . . 0.0 109.873 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -125.59 -166.98 1.62 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.915 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -77.47 -8.87 58.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.508 0.194 . . . . 0.0 110.958 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 92.4 mt 58.05 57.67 3.94 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.057 173.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 58.46 45.84 15.97 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.606 0.717 . . . . 0.0 110.708 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -81.99 -2.74 52.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.894 0.854 . . . . 0.0 108.719 175.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -76.13 119.39 19.99 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.601 174.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -67.0 143.04 57.01 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.411 0.624 . . . . 0.0 111.346 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -132.78 164.06 27.67 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.824 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -76.97 152.68 35.15 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.741 -174.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 . . . . . 0 C--O 1.247 0.922 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 171.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.404 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 25.5 ptt? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.576 0.226 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 8.3 Cg_exo -73.1 -63.99 0.03 OUTLIER 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.886 2.39 . . . . 0.0 112.261 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -109.49 150.15 40.79 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.805 -177.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -76.88 -27.22 7.27 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.879 2.386 . . . . 0.0 113.167 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.0 tp -101.85 54.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.394 0.616 . . . . 0.0 110.58 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.4 ptp -70.51 -4.0 20.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.249 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.453 ' HB3' ' HG3' ' A' ' 9' ' ' GLN . 65.4 m-85 -93.71 -45.37 7.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.678 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 58.25 28.3 16.42 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.174 -174.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.453 ' HG3' ' HB3' ' A' ' 7' ' ' TYR . 28.2 mt-30 -81.44 108.68 15.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.934 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -86.84 176.53 7.65 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.511 ' H ' HD21 ' A' ' 11' ' ' ASN . 0.1 OUTLIER -122.87 135.47 54.53 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.237 0.541 . . . . 0.0 110.413 -178.116 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -125.21 136.0 53.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.104 -175.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -87.31 105.21 14.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.575 0.702 . . . . 0.0 109.999 177.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.426 HG22 HD11 ' A' ' 29' ' ' LEU . 72.0 t -88.0 133.18 31.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.141 -176.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.9 mt -119.39 107.2 13.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.505 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.85 152.05 23.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 m -64.37 -35.23 80.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.129 0.49 . . . . 0.0 110.034 174.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.83 -60.99 1.97 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.673 177.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.482 ' OE1' ' HB2' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -114.44 99.75 51.8 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -78.76 128.35 8.48 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.964 2.443 . . . . 0.0 112.808 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 70.62 95.81 0.07 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.392 173.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.482 ' HB2' ' OE1' ' A' ' 19' ' ' GLN . 8.6 tp-100 -141.6 121.09 13.25 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.28 171.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -84.03 115.47 22.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.155 0.502 . . . . 0.0 110.549 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.475 HD13 HD11 ' A' ' 29' ' ' LEU . 13.2 mt -113.31 149.06 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.824 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.18 175.15 9.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 170.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -54.69 -43.74 72.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -71.52 -46.94 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 110.862 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -57.36 -40.81 78.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.191 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.475 HD11 HD13 ' A' ' 24' ' ' LEU . 29.9 tp -72.85 -35.94 67.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.378 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 12.3 mt -55.64 -57.08 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.828 175.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 41.8 mt-10 -62.32 -30.42 71.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.354 -177.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -67.99 -48.5 65.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.901 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.87 -39.27 90.55 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.362 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 9.7 mtpm? -57.42 -44.48 84.64 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.505 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -73.76 -42.46 38.82 Favored Glycine 0 C--O 1.238 0.353 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.245 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -58.56 -43.89 89.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.881 -0.659 . . . . 0.0 109.938 177.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.2 tp -70.6 -42.23 71.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.894 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.505 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.0 pt-20 -69.01 -23.14 64.05 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.688 -174.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -92.89 2.08 56.96 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.245 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mp -86.15 145.57 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 170.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 m -59.3 128.17 35.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.843 0.354 . . . . 0.0 110.765 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -68.54 -16.96 64.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.985 0.422 . . . . 0.0 110.896 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -95.42 10.15 37.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.799 175.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -114.69 -33.33 5.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' A' ' 49' ' ' LEU . 3.0 pp -65.63 151.72 94.09 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.483 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.15 158.77 8.76 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.568 2.845 . . . . 0.0 113.546 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.1 tp -66.9 -28.24 68.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.521 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -51.41 -44.36 62.23 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.304 0.573 . . . . 0.0 110.633 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.666 ' HB2' HD12 ' A' ' 45' ' ' LEU . 37.4 mt -77.97 -21.07 51.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.425 -176.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -78.05 -25.05 47.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.011 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.69 -34.6 40.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.246 0.546 . . . . 0.0 109.835 175.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.0 mt -73.36 140.47 46.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.245 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -100.14 -27.98 13.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.038 -177.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -93.58 131.51 38.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.933 0.397 . . . . 0.0 111.041 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HB3' ' HD3' ' A' ' 56' ' ' PRO . 52.8 tp -59.29 -45.62 99.14 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.502 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.479 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 31.4 Cg_exo -58.54 -40.17 76.56 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.817 1.678 . . . . 0.0 111.76 176.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.84 92.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.874 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.461 HE21 ' HA ' ' A' ' 55' ' ' LEU . 49.0 mt-30 -61.04 -49.94 75.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.559 177.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.25 94.73 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.147 0.499 . . . . 0.0 110.92 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.7 -41.11 98.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.394 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.509 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 71.8 t60 -67.06 -26.04 66.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.777 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.23 -62.57 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 173.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.6 mt -56.88 -35.19 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 110.397 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.509 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 23.2 t70 -60.16 -38.49 83.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.966 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.0 p -129.68 -66.22 0.81 Allowed 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -173.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.6 m -110.72 132.06 54.52 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -164.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.48 ' HA ' ' CZ2' ' A' ' 79' ' ' TRP . 43.8 t -101.64 102.25 12.91 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -172.55 118.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.445 -174.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.564 HD23 HD23 ' A' ' 77' ' ' LEU . 28.7 tp -166.37 110.69 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.194 0.521 . . . . 0.0 110.767 175.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -91.41 101.51 14.18 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.499 HG21 ' HE3' ' A' ' 75' ' ' LYS . 26.9 m -85.56 -1.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.847 -171.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.39 -161.56 54.19 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.357 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 60.95 12.0 3.65 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.776 0.43 . . . . 0.0 111.733 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.31 1.65 74.9 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.225 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.499 ' HE3' HG21 ' A' ' 71' ' ' VAL . 53.3 pttt -119.92 158.8 25.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.212 0.506 . . . . 0.0 111.216 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -119.43 170.8 8.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.081 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.564 HD23 HD23 ' A' ' 69' ' ' LEU . 58.2 tp -135.8 119.46 17.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.762 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -127.07 138.45 53.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.797 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.48 ' CZ2' ' HA ' ' A' ' 67' ' ' CYS . 38.5 p90 -140.74 126.61 19.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.06 0.457 . . . . 0.0 110.577 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -140.93 150.65 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.999 0.428 . . . . 0.0 110.554 175.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.5 142.86 29.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.438 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 m -114.45 105.51 18.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.521 172.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -85.11 119.3 25.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.963 -175.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.44 116.18 17.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.518 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -90.4 159.63 16.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -83.8 66.22 8.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.301 0.572 . . . . 0.0 110.238 177.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.444 ' H ' HD23 ' A' ' 87' ' ' LEU . 2.5 pt? -61.47 -33.62 74.07 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.759 178.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -112.56 102.5 10.59 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.669 174.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -90.73 -1.98 57.83 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -69.17 94.01 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.893 -1.048 . . . . 0.0 109.518 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -131.44 110.9 11.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -173.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -121.1 98.51 6.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.275 176.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -141.26 7.75 2.0 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.436 0.636 . . . . 0.0 109.482 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.25 177.447 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.4 pmm? . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 4.4 Cg_exo -78.41 -9.72 16.18 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.111 2.541 . . . . 0.0 111.567 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.471 ' HB3' ' SD ' ' A' ' 6' ' ' MET . 9.7 m-20 -64.14 122.14 75.91 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.23 178.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.22 -27.59 19.64 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 122.683 2.255 . . . . 0.0 112.595 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.9 tp -144.78 -99.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.311 -177.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.471 ' SD ' ' HB3' ' A' ' 3' ' ' ASP . 1.3 mpt? 69.7 -50.23 0.62 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.621 0.769 . . . . 0.0 113.024 174.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -75.18 -5.51 44.8 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -97.88 5.65 48.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.217 0.532 . . . . 0.0 110.234 174.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.798 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 26.7 mt-30 -108.96 108.9 19.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.206 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.551 ' O ' ' HA ' ' A' ' 25' ' ' THR . 12.3 p-10 -87.43 171.42 10.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.797 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.512 ' H ' HD21 ' A' ' 11' ' ' ASN . 0.1 OUTLIER -106.74 140.62 39.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.327 0.584 . . . . 0.0 111.996 -171.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.403 ' CE2' ' HB2' ' A' ' 81' ' ' ALA . 77.0 m-85 -122.24 136.94 54.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.652 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -87.52 107.62 17.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -87.49 117.75 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.39 0.614 . . . . 0.0 110.998 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.2 mt -108.41 101.92 11.07 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.72 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.67 ' HB3' ' O ' ' A' ' 19' ' ' GLN . 5.6 tp10 -84.49 149.05 26.2 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 171.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.523 ' HB ' ' HB2' ' A' ' 75' ' ' LYS . 34.0 m -66.93 -41.19 87.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.973 0.416 . . . . 0.0 110.592 -176.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.411 ' H ' ' HG3' ' A' ' 16' ' ' GLU . 15.2 m120 -75.46 -56.55 4.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.901 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.67 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 3.5 pm0 -139.71 128.32 13.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 0.0 110.568 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.79 129.88 16.1 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.067 1.844 . . . . 0.0 112.216 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -89.69 -171.29 3.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.377 . . . . 0.0 110.714 -177.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -84.15 -174.2 5.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.495 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -98.28 116.01 29.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.253 0.549 . . . . 0.0 109.673 173.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.02 166.84 11.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.512 -177.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.798 ' HB ' ' HB3' ' A' ' 9' ' ' GLN . 44.7 p -84.86 171.51 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -173.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.84 -51.24 30.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.923 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.534 HD13 ' HG2' ' A' ' 9' ' ' GLN . 1.5 mp -63.94 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.317 -176.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.75 -43.05 76.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.604 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.1 tp -64.2 -38.34 90.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.627 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.47 -51.91 67.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.496 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -67.36 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.031 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.86 -50.74 69.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.931 0.396 . . . . 0.0 110.161 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.19 -39.42 94.6 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.933 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -57.75 -43.79 85.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.179 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.86 -46.59 91.3 Favored Glycine 0 C--O 1.236 0.267 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.526 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.549 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 29.2 mm-40 -68.57 -32.61 72.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 tp -71.23 -38.72 71.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.795 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -74.66 -15.09 60.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.881 0.372 . . . . 0.0 110.129 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.549 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -82.96 -14.47 54.02 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.032 0.444 . . . . 0.0 110.245 173.328 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.472 HD11 ' HG2' ' A' ' 39' ' ' LYS . 1.4 mp -93.24 141.01 15.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.415 178.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.65 153.06 40.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.165 -179.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -68.09 -25.5 65.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.284 0.564 . . . . 0.0 110.952 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 p -86.35 0.86 53.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.138 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.37 -21.26 10.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.335 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.548 ' HB2' HD13 ' A' ' 49' ' ' LEU . 3.5 pp -82.88 147.62 55.18 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.782 0.325 . . . . 0.0 111.119 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.486 ' HD2' HD13 ' A' ' 49' ' ' LEU . 52.7 Cg_exo -54.14 154.97 16.55 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.571 2.847 . . . . 0.0 113.45 -178.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.5 tp -61.63 -31.21 71.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.027 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -54.6 -41.12 69.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.309 0.576 . . . . 0.0 110.706 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 45' ' ' LEU . 34.2 mt -75.26 -16.31 60.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.54 -176.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -83.69 -21.31 32.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.285 0.564 . . . . 0.0 110.145 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -82.11 -26.87 33.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.153 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.3 mt -87.41 106.79 18.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.503 177.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.42 -6.38 49.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.701 -174.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -112.95 124.28 52.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.599 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.519 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 34.4 tp -55.77 -49.37 93.21 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.945 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.6 Cg_endo -57.36 -37.5 97.4 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.931 1.754 . . . . 0.0 112.472 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.71 78.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.895 0.378 . . . . 0.0 110.793 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.544 ' HB3' HD22 ' A' ' 49' ' ' LEU . 78.9 mt-30 -60.58 -51.39 69.6 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.153 176.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -65.81 -33.17 75.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.113 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.5 tm0? -65.64 -43.29 89.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -55.94 -38.18 69.98 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.148 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.45 ' HB3' ' CZ2' ' A' ' 79' ' ' TRP . 93.7 mt -60.82 -58.88 6.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.035 175.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.403 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 90.8 mt -49.92 -41.45 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.303 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.37 -59.8 3.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 t -133.65 -22.18 1.92 Allowed 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -168.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.3 m -121.34 123.95 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.393 -0.817 . . . . 0.0 111.462 -172.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 61.8 m -126.63 101.92 6.86 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.481 -176.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -173.97 138.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.766 173.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.7 tp -159.6 111.22 2.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.905 0.383 . . . . 0.0 110.975 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -79.05 104.66 9.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.411 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.503 HG23 ' HE3' ' A' ' 75' ' ' LYS . 15.8 m -100.64 19.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.513 -174.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.556 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 115.49 140.42 7.07 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.525 172.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 62.42 16.56 8.72 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.15 5.39 73.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.802 -0.714 . . . . 0.0 113.249 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 51.4 pttt -91.42 143.84 26.2 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.463 176.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -116.24 133.7 55.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.016 -175.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.409 HD23 ' HG3' ' A' ' 36' ' ' GLU . 34.3 tp -87.54 112.63 22.45 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 173.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -115.47 157.68 23.64 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.463 -173.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.45 ' CZ2' ' HB3' ' A' ' 62' ' ' LEU . 29.0 p90 -160.46 147.62 15.88 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.684 0.278 . . . . 0.0 110.53 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -140.99 147.45 38.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.961 170.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -86.93 114.02 23.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.061 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 m -93.37 102.59 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.476 0.655 . . . . 0.0 109.908 175.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -116.75 163.96 15.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.845 -177.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 tt -72.66 83.87 1.16 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.885 0.374 . . . . 0.0 110.355 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.54 144.2 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.031 -0.986 . . . . 0.0 112.975 175.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -69.86 107.5 3.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.096 178.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 91.1 mt -89.87 -20.96 22.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.114 -176.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -87.94 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 61.0 18.43 8.91 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.117 0.485 . . . . 0.0 111.628 172.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -139.27 147.02 41.12 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -91.18 -35.97 14.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.626 0.251 . . . . 0.0 110.926 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -60.55 -48.44 81.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.048 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -100.26 -44.11 6.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.549 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 117.713 -1.137 . . . . 0.0 108.794 -168.012 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -89.43 -7.78 4.8 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 123.133 2.555 . . . . 0.0 113.23 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -132.04 118.99 16.57 Favored Pre-proline 0 C--N 1.327 -0.383 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.024 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.19 -177.53 3.31 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.012 2.474 . . . . 0.0 113.206 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.591 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.6 pt? -82.06 -179.58 7.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.159 -178.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.1 ptm -82.7 41.46 0.73 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.715 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.3 t80 66.32 92.6 0.08 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.691 0.758 . . . . 0.0 112.462 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.61 37.58 0.82 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.994 171.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -59.18 127.19 30.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.074 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.517 ' OD2' ' HD2' ' A' ' 83' ' ' ARG . 2.7 m-20 -67.47 155.28 39.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.711 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -106.9 123.71 48.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.102 0.477 . . . . 0.0 110.36 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -113.55 134.05 54.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.92 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 23' ' ' PHE . 80.9 t -88.64 107.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.1 t -92.36 115.39 31.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.939 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.7 mt -91.05 105.4 17.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.246 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -108.69 158.82 17.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.975 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.426 ' HB ' ' CB ' ' A' ' 75' ' ' LYS . 26.8 m -87.57 -10.74 50.73 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -172.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -81.53 -71.0 0.5 Allowed 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.013 -0.429 . . . . 0.0 111.725 -174.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -135.1 154.36 78.96 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.487 0.184 . . . . 0.0 110.727 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.52 127.72 20.58 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.184 1.922 . . . . 0.0 111.064 174.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -133.46 168.27 18.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.445 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.15 173.1 6.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.798 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.49 ' HB3' HG21 ' A' ' 13' ' ' VAL . 15.8 p90 -64.83 130.63 44.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.638 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -115.14 165.24 13.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.176 -178.747 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.1 p -82.7 170.47 15.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.684 0.278 . . . . 0.0 111.306 -175.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 m -52.04 -42.7 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.664 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.0 mm -64.45 -44.33 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.189 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 4.6 mm-40 -66.45 -38.17 86.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.277 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.83 -41.75 99.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.205 176.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.7 mt -53.86 -50.61 65.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.991 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.36 -39.39 94.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.271 -176.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -63.22 -48.98 75.99 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.878 176.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.33 -47.68 84.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.761 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -59.74 -42.42 93.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.632 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.69 -51.11 59.71 Favored Glycine 0 C--O 1.237 0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.561 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -68.48 -35.59 77.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.905 0.383 . . . . 0.0 110.237 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -67.08 -39.4 86.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.516 -177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.46 -28.53 62.99 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.022 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' HZ1' ' HB2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -87.89 3.07 49.84 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.871 176.311 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.51 HG22 HD23 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -93.71 144.34 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 172.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.416 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 27.4 t -63.78 147.59 51.36 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.02 -21.74 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.548 -174.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.9 p -95.94 -6.03 40.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.155 0.502 . . . . 0.0 110.763 176.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.416 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 33.9 t70 -91.42 -25.05 19.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.143 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.738 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -88.7 151.39 47.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.75 177.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.507 ' HD2' HD11 ' A' ' 49' ' ' LEU . 52.0 Cg_exo -55.62 155.67 20.82 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.418 2.745 . . . . 0.0 113.597 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 56.6 tp -60.07 -30.26 69.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.194 -177.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -52.67 -45.49 66.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.43 0.633 . . . . 0.0 110.504 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.738 ' HB2' HD13 ' A' ' 45' ' ' LEU . 21.3 mt -80.85 -14.06 58.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.047 -175.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -80.76 -27.58 36.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.853 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 35.7 mmtp -78.41 -35.76 46.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.912 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 58' ' ' GLN . 76.1 mt -77.84 112.68 14.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.064 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.67 -43.31 94.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.417 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -96.1 126.17 41.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.535 -170.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 49.3 tp -52.18 -47.27 92.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.442 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.8 Cg_endo -53.53 -35.61 77.26 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 122.314 2.01 . . . . 0.0 112.611 176.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.76 -36.15 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.488 ' HB3' HD23 ' A' ' 49' ' ' LEU . 78.0 mt-30 -58.14 -54.8 42.83 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.624 178.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.5 -28.85 68.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.082 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.29 -40.48 81.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.29 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 31.2 t60 -68.67 -26.87 65.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.46 178.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.429 HD21 ' CB ' ' A' ' 67' ' ' CYS . 72.9 mt -60.15 -53.54 56.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 174.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.35 -33.67 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.236 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.502 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 12.3 t70 -55.76 -47.51 76.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.181 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.4 p -106.93 -76.54 0.61 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.416 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.9 p 162.37 163.23 0.02 OUTLIER 'General case' 0 C--O 1.232 0.182 0 C-N-CA 124.009 0.923 . . . . 0.0 108.947 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.483 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 45.9 t -171.26 144.07 1.97 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.933 0.396 . . . . 0.0 110.794 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -104.74 116.37 31.92 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.2 tp -125.49 124.25 40.95 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.726 -0.389 . . . . 0.0 111.691 -169.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.87 119.67 26.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 168.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.453 HG21 ' HG3' ' A' ' 75' ' ' LYS . 15.8 m -105.98 10.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -176.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.53 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 66.56 -166.8 38.28 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.987 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.05 17.32 10.04 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.985 0.514 . . . . 0.0 111.363 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.58 25.83 75.07 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.339 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 24.4 pttm -131.5 151.79 51.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.778 0.323 . . . . 0.0 110.486 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -110.57 159.58 17.42 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.4 tp -132.91 112.21 11.7 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -137.94 149.14 45.92 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.483 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 33.4 p90 -129.97 138.31 50.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.429 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -138.17 137.71 37.89 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 172.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.04 131.09 38.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.277 -175.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 m -111.09 103.69 15.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.507 0.67 . . . . 0.0 110.404 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.517 ' HD2' ' OD2' ' A' ' 10' ' ' ASP . 17.5 mtp180 -125.52 120.59 31.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.704 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.9 tp -111.46 -81.58 0.58 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.451 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 65.06 144.46 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 O-C-N 123.817 0.698 . . . . 0.0 110.659 -175.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 3.4 mppt? -70.2 131.83 44.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.0 mp -80.95 64.07 5.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.302 0.572 . . . . 0.0 110.702 -175.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.511 ' CD ' ' H ' ' A' ' 89' ' ' HIS . 1.3 tm-20 -135.64 -133.56 0.15 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 176.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.511 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 73.5 m-70 58.77 27.34 15.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.795 0.331 . . . . 0.0 110.254 -177.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -65.71 -37.08 85.45 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -83.08 93.29 7.57 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 165.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -70.71 125.25 26.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.445 -170.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.4 t60 73.49 -62.72 0.46 Allowed 'General case' 0 N--CA 1.465 0.275 0 O-C-N 124.283 0.99 . . . . 0.0 110.478 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.687 -0.673 . . . . 0.0 109.373 178.885 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.562 ' HA ' ' OG1' ' A' ' 26' ' ' THR . 75.1 mt-30 . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 120.886 0.374 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.48 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.5 t70 -113.38 -160.06 0.71 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -105.98 116.2 31.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.245 0.545 . . . . 0.0 110.145 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' A' ' 81' ' ' ALA . 30.4 m-85 -104.44 127.2 52.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.687 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -86.59 100.12 9.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' A' ' 24' ' ' LEU . 86.0 t -94.07 123.62 46.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.827 -175.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.55 ' HB2' ' HG3' ' A' ' 78' ' ' GLN . 67.0 mt -101.28 102.27 13.11 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.108 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.323 -0.554 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 176.797 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 C--O 1.234 0.288 0 CA-C-O 121.105 0.479 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.531 HD21 ' HB ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -140.87 157.66 45.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.483 176.814 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 42.4 p -81.42 172.85 13.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.698 -176.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.562 ' OG1' ' HA ' ' A' ' 9' ' ' GLN . 2.0 m -54.88 -38.55 67.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.852 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.24 -40.73 78.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 0.0 110.747 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 36.9 mt-10 -66.35 -39.65 89.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.141 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.53 -44.15 95.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.216 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -54.97 -49.33 71.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.587 177.685 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.19 -39.77 76.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.99 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -68.2 -46.11 71.52 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.432 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.04 -52.46 62.72 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.862 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 9.8 ptmm? -60.61 -24.08 65.22 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.914 -0.491 . . . . 0.0 111.489 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -75.45 -49.09 9.59 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.29 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.481 ' OE1' HG12 ' A' ' 71' ' ' VAL . 2.7 pp20? -72.5 -36.01 68.28 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.04 -0.682 . . . . 0.0 110.445 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 tp -65.64 -36.31 83.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 9.6 pt-20 -69.3 -29.61 67.51 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.254 -0.579 . . . . 0.0 109.787 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 67.0 mttm -71.6 -40.48 69.83 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.524 173.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 71' ' ' VAL . 1.4 mp -59.16 134.96 24.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.146 175.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.6 t -58.09 135.48 57.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 50' ' ' GLN . 32.1 t80 -68.4 -17.7 64.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.916 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.9 m -94.74 5.75 50.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.357 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -115.63 -26.43 7.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.031 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.4 pp -78.54 160.9 71.48 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.475 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD2' HD12 ' A' ' 49' ' ' LEU . 72.3 Cg_exo -51.8 156.68 6.48 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.674 2.916 . . . . 0.0 113.84 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -70.17 -30.8 68.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.884 -174.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.28 -36.09 72.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.069 0.461 . . . . 0.0 110.394 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.714 ' HB2' HD13 ' A' ' 45' ' ' LEU . 37.6 mt -74.68 -23.24 58.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.293 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 52.3 mt-30 -80.13 -19.19 47.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.812 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -82.31 -30.25 30.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.231 0.538 . . . . 0.0 109.99 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.2 mt -76.3 143.51 40.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.933 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -105.82 -25.36 12.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.914 0.388 . . . . 0.0 110.537 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.6 m -90.93 136.17 33.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.977 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.558 ' HA ' HE21 ' A' ' 58' ' ' GLN . 62.1 tp -63.53 -50.72 71.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.29 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 12.4 Cg_endo -57.06 -34.66 98.11 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.015 1.81 . . . . 0.0 112.366 177.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.59 92.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.558 HE21 ' HA ' ' A' ' 55' ' ' LEU . 50.4 mt-30 -60.59 -55.96 27.03 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.617 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.68 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.012 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -63.53 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.672 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.574 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 65.4 t60 -71.82 -28.54 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.615 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 87.3 mt -61.78 -49.87 74.64 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.22 0.533 . . . . 0.0 110.03 173.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.56 -34.77 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.245 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.574 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 11.6 t70 -58.92 -58.71 7.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.19 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.8 t -162.34 77.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.916 0.865 . . . . 0.0 111.405 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.55 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 70.7 m -151.48 177.54 10.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.644 172.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.03 -148.19 0.39 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.48 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -95.46 164.43 12.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.714 0.292 . . . . 0.0 110.393 -175.461 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.04 162.17 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.07 0.462 . . . . 0.0 111.023 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.56 122.37 35.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.838 177.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.481 HG12 ' OE1' ' A' ' 36' ' ' GLU . 30.8 m -86.22 -3.07 8.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.405 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.71 177.83 29.58 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.497 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.28 13.49 8.0 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.008 0.523 . . . . 0.0 111.654 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.05 -18.79 56.05 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.46 ' HE3' HG21 ' A' ' 71' ' ' VAL . 46.3 pttt -93.97 173.33 7.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.992 0.425 . . . . 0.0 110.683 -178.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -141.37 170.98 14.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -173.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 56.7 tp -135.82 118.62 16.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.312 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.55 ' HG3' ' HB2' ' A' ' 15' ' ' LEU . 10.3 pt20 -129.6 149.57 51.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.305 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -147.29 146.19 29.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.385 -176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -140.55 143.77 35.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.895 0.379 . . . . 0.0 109.987 174.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.457 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -98.58 129.7 45.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -178.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 121.32 0.581 . . . . 0.0 109.901 176.451 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -97.27 -167.04 1.47 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.251 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -113.9 123.31 49.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.137 0.494 . . . . 0.0 111.91 -170.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -120.6 140.33 51.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.619 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.424 HG22 ' CD1' ' A' ' 23' ' ' PHE . 84.9 t -102.33 107.54 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.521 HG21 HD21 ' A' ' 24' ' ' LEU . 81.6 t -94.47 127.89 46.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.297 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.3 mt -118.65 102.63 9.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.392 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--N 1.32 -0.685 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.692 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.424 ' CD1' HG22 ' A' ' 13' ' ' VAL . 67.9 m-85 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 1.7 pp -125.4 178.07 5.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.842 0.353 . . . . 0.0 111.522 -176.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.2 p -96.05 173.45 7.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.58 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 m -52.51 -43.27 64.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.799 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -66.96 -38.46 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.149 -176.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 40.8 mt-10 -71.96 -35.03 69.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.011 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 79' ' ' TRP . 57.1 tp -63.26 -39.94 96.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.086 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.8 mt -54.86 -51.46 65.86 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.773 175.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -56.15 -42.19 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.151 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -62.59 -55.11 30.25 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.726 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.451 HD22 HD13 ' A' ' 62' ' ' LEU . 45.1 mt -57.35 -44.58 84.42 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -56.38 -51.45 68.27 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -66.2 -46.77 77.23 Favored Glycine 0 C--O 1.24 0.525 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.572 ' O ' HD13 ' A' ' 40' ' ' ILE . 5.3 mm-40 -69.96 -18.93 63.37 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 122.718 -0.284 . . . . 0.0 110.934 -178.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.2 tp -86.37 -42.75 13.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.84 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.4 pt-20 -64.84 -24.44 67.54 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.409 -177.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -81.3 -8.88 59.82 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.41 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -92.01 146.76 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 m -64.8 130.71 44.52 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 110.634 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -69.5 -10.93 60.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.459 -175.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 p -88.82 -13.91 38.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.74 -36.97 9.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.082 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.854 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.9 pp -60.82 155.23 53.79 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.614 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 11.3 Cg_endo -54.88 151.08 34.6 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.216 2.611 . . . . 0.0 113.624 -175.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.05 -29.82 63.75 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.088 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 15.7 mm-40 -48.92 -51.11 31.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.178 0.513 . . . . 0.0 110.707 173.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.854 ' HB2' HD13 ' A' ' 45' ' ' LEU . 28.5 mt -73.51 -26.24 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.585 -175.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -70.95 -36.55 72.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 48' ' ' GLU . 41.7 mtmt -74.74 -28.75 60.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.906 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.436 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 84.2 mt -70.61 126.73 30.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.197 0.522 . . . . 0.0 110.487 176.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -82.49 -18.89 40.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.74 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.8 m -118.67 136.07 54.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.816 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 46.3 tp -59.18 -48.72 95.82 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.785 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.0 Cg_endo -55.45 -36.58 94.41 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.071 1.848 . . . . 0.0 112.264 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.73 84.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.773 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.524 ' HB3' HD22 ' A' ' 49' ' ' LEU . 79.4 mt-30 -60.8 -51.05 70.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.284 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -65.29 -35.02 79.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.004 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.65 -37.66 82.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 37.0 t60 -71.02 -26.85 63.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 110.451 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 59' ' ' ALA . 68.5 mt -59.58 -54.92 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 173.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.2 -37.43 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.419 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 9.8 t70 -51.9 -48.53 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.645 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.8 p -105.5 -72.6 0.71 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.719 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.3 m 144.11 126.59 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.236 1.814 . . . . 0.0 108.794 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.51 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 42.0 t -155.13 123.5 5.96 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -93.17 129.1 39.3 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.201 0.524 . . . . 0.0 109.862 -169.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.9 tp -116.97 127.25 54.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.711 -163.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -81.71 115.87 21.16 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 169.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.586 HG23 ' HG3' ' A' ' 75' ' ' LYS . 11.3 m -107.47 27.89 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -170.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.58 170.35 43.9 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.819 174.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.95 5.6 2.44 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.001 0.52 . . . . 0.0 111.822 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.77 5.12 88.38 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.449 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.586 ' HG3' HG23 ' A' ' 71' ' ' VAL . 42.7 pttt -97.27 140.8 31.2 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -107.04 138.87 42.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.114 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.402 HD23 HD23 ' A' ' 33' ' ' LEU . 38.4 tp -93.67 112.55 24.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.776 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -125.28 139.21 53.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.423 -176.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.425 ' CD1' HD21 ' A' ' 29' ' ' LEU . 15.2 p90 -144.62 139.64 28.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.823 0.344 . . . . 0.0 110.184 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -116.88 135.57 53.63 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.03 111.41 19.27 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.4 m . . . . . 0 C--N 1.32 -0.701 0 CA-C-O 121.258 0.552 . . . . 0.0 109.692 -177.42 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.734 0.302 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -75.14 -178.37 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.54 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -124.12 122.81 38.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.132 0.492 . . . . 0.0 110.779 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 76.9 m-85 -100.92 144.38 29.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.092 -177.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.77 101.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.796 0.807 . . . . 0.0 108.826 171.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.65 125.38 40.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.92 -175.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.2 mt -100.69 110.26 22.36 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 174.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.464 ' HG3' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.318 -0.764 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -174.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.606 0.241 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -138.65 143.25 39.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.4 p -81.07 176.47 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.326 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 m -54.21 -40.47 67.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.582 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.0 -44.14 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 33.6 mt-10 -70.2 -36.78 74.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.541 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 tp -63.62 -37.97 89.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.344 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.6 mt -54.94 -54.45 42.59 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.609 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.51 -35.24 77.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -65.3 -51.97 57.19 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.055 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.65 -50.4 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.737 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HB3' HD21 ' A' ' 55' ' ' LEU . 49.7 mtpt -52.1 -52.96 48.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.259 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.64 -46.72 93.14 Favored Glycine 0 C--O 1.241 0.538 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.745 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.481 ' O ' HG13 ' A' ' 40' ' ' ILE . 44.5 mt-10 -75.22 -19.21 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.746 0.308 . . . . 0.0 110.718 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.08 -31.89 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.237 174.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -59.81 -38.46 82.04 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.189 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -78.91 -0.23 30.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.458 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 36' ' ' GLU . 65.5 mt -94.09 139.96 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.982 0.42 . . . . 0.0 110.572 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.407 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 46.6 t -73.4 148.14 43.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.475 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -66.45 -22.4 66.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.862 0.363 . . . . 0.0 110.434 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.1 t -88.08 3.57 48.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.112 0.482 . . . . 0.0 110.227 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -115.29 -30.65 6.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.411 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.3 pp -85.85 154.21 58.2 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.514 ' HD2' HD12 ' A' ' 49' ' ' LEU . 61.7 Cg_exo -53.52 153.15 18.94 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.467 2.778 . . . . 0.0 113.752 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.42 -28.7 69.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.555 -176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.786 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 63.2 mm-40 -58.9 -42.35 89.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.277 0.56 . . . . 0.0 110.382 177.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.689 ' HB2' HD13 ' A' ' 45' ' ' LEU . 64.7 mt -72.96 -21.81 60.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.458 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.83 -32.24 63.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.786 ' HE2' ' HA ' ' A' ' 48' ' ' GLU . 43.8 mtmt -76.4 -25.08 54.16 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.944 0.402 . . . . 0.0 110.651 175.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.479 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 75.6 mt -79.18 106.88 11.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.268 0.556 . . . . 0.0 109.959 173.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.17 -29.11 70.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.839 -169.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -117.76 143.61 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.243 -173.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 10.6 tp -54.77 -51.5 78.4 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.588 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.0 Cg_endo -52.53 -39.98 73.41 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.224 1.949 . . . . 0.0 112.351 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.05 88.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.723 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.504 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 77.1 mt-30 -62.13 -56.27 20.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.616 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -63.18 -38.54 91.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.569 -177.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.68 -37.79 87.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.606 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 69.1 t60 -73.95 -26.01 60.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.542 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 58' ' ' GLN . 98.4 mt -59.86 -45.93 90.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 172.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.63 -25.39 34.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.966 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.606 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 42.2 m-20 -61.0 -45.51 94.51 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.086 0.47 . . . . 0.0 110.002 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 p -105.39 -82.17 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.81 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.8 m 144.87 138.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.103 1.761 . . . . 0.0 108.644 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 75.8 m -149.66 152.91 36.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.736 0.303 . . . . 0.0 110.476 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -96.25 117.03 29.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.5 tp -118.32 123.54 45.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.839 -169.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.55 108.04 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.637 HG23 ' HB2' ' A' ' 75' ' ' LYS . 2.5 m -102.64 21.75 2.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -171.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.29 149.89 25.97 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.582 -0.818 . . . . 0.0 113.274 171.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.64 11.8 7.03 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.289 0.636 . . . . 0.0 112.172 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.08 12.49 63.47 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.667 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.637 ' HB2' HG23 ' A' ' 71' ' ' VAL . 16.5 mtmt -79.06 134.54 36.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -113.68 122.22 46.49 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD13 ' HG3' ' A' ' 16' ' ' GLU . 56.6 tp -104.53 117.44 34.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.402 -175.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -137.4 146.9 44.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.599 171.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 33.1 p90 -133.5 136.47 45.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.917 0.389 . . . . 0.0 110.527 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -140.96 146.3 37.16 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . . . -96.4 132.49 41.87 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.054 0.454 . . . . 0.0 111.241 -175.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 172.64 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.531 ' HB2' HG22 ' A' ' 25' ' ' THR . 1.8 mp0 . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.741 0.305 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.64 148.21 51.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.955 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -105.63 137.38 43.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.483 . . . . 0.0 110.638 -175.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.58 140.59 44.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.998 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.6 t -86.29 114.78 26.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.005 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.578 HG13 HD11 ' A' ' 77' ' ' LEU . 88.8 t -104.42 105.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.19 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.5 mt -107.3 112.17 24.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.015 -176.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.927 174.338 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.1 p90 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 121.029 0.443 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -134.91 174.6 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.276 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.531 HG22 ' HB2' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -80.95 163.86 23.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -176.533 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 m -52.48 -40.62 62.54 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.9 0.48 . . . . 0.0 112.255 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.96 -44.5 81.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.207 -174.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.42 -37.85 84.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.69 0.281 . . . . 0.0 110.543 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.22 -38.94 89.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.109 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -61.85 -48.41 80.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.083 178.806 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.575 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 41.4 mt-10 -68.01 -32.8 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.017 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -66.48 -53.0 40.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.213 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.22 -27.96 68.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.494 -177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 54.8 mtmt -62.13 -38.99 91.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.702 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.536 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -73.92 -44.08 31.94 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.136 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.533 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -57.34 -32.36 66.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.176 -0.512 . . . . 0.0 110.826 175.637 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 tp -84.68 -41.17 16.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.822 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.536 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.3 pt-20 -67.63 -23.78 65.39 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.418 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 59.4 pttt -83.87 2.46 38.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.376 0.608 . . . . 0.0 110.435 177.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.6 mp -108.99 143.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.265 174.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.5 t -59.45 133.58 56.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.721 0.296 . . . . 0.0 110.769 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.434 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . 93.2 m-85 -71.9 -9.8 58.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -93.96 -13.76 26.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.211 0.529 . . . . 0.0 109.738 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -99.69 -36.01 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.348 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.6 pp -63.28 160.45 40.81 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.14 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.547 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 87.5 Cg_exo -44.42 141.71 5.02 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.604 2.869 . . . . 0.0 113.684 -177.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.527 HD12 ' HE3' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -53.82 -40.79 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.026 -176.819 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.58 -32.54 70.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.353 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.791 ' HB2' HD13 ' A' ' 45' ' ' LEU . 25.4 mt -78.19 -20.36 52.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.274 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -76.66 -29.65 56.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.862 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.527 ' HE3' HD12 ' A' ' 47' ' ' LEU . 99.5 mttt -76.39 -34.24 58.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.427 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.7 mt -77.81 138.99 39.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -99.38 -29.81 12.56 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.272 -174.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 46.9 m -96.12 130.21 43.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.379 -176.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.56 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 6.6 mp -49.21 -48.39 73.9 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.654 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.0 Cg_endo -54.78 -28.36 57.13 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.284 1.99 . . . . 0.0 113.04 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.33 -40.96 22.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.379 0.609 . . . . 0.0 109.833 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 54' ' ' SER . 57.4 mt-30 -64.4 -47.97 77.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.489 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.48 76.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.453 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 13.3 tm0? -64.35 -42.76 96.06 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -53.42 -44.16 68.54 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.532 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.628 HD21 HD11 ' A' ' 49' ' ' LEU . 78.3 mt -55.99 -55.04 37.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.354 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.401 HD12 ' HG ' ' A' ' 30' ' ' LEU . 90.5 mt -59.61 -45.54 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.994 -176.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.12 -30.85 71.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.918 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 p -109.63 -81.88 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.609 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m 145.56 135.94 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.265 1.826 . . . . 0.0 108.188 -171.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 74.1 m -151.73 167.98 26.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -96.46 137.8 35.0 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 tp -151.36 113.21 4.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.672 0.272 . . . . 0.0 111.34 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -75.38 120.69 21.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 75' ' ' LYS . 29.2 m -102.84 20.22 3.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -170.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.538 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 92.27 156.54 32.85 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.592 171.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 67.31 -4.55 0.85 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.531 0.732 . . . . 0.0 112.284 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.07 7.97 67.38 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.049 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HG3' HG23 ' A' ' 71' ' ' VAL . 62.6 pttt -87.45 156.43 19.57 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -106.12 156.12 18.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.781 0.324 . . . . 0.0 110.807 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 14' ' ' VAL . 41.1 tp -147.57 125.84 12.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.217 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.15 152.65 40.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 172.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 23.1 p90 -128.77 140.76 51.57 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.868 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -140.47 144.92 36.32 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.58 120.16 27.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.123 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.321 -0.638 0 CA-C-O 121.707 0.765 . . . . 0.0 110.26 176.197 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.562 ' HB3' HG22 ' A' ' 25' ' ' THR . 78.1 mt-30 . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -79.93 156.51 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -106.44 131.77 53.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.323 0.582 . . . . 0.0 110.024 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 81' ' ' ALA . 75.8 m-85 -116.96 137.37 52.26 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.231 -175.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.3 m -91.65 111.05 23.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -97.38 118.64 44.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.082 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -107.81 102.41 11.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.149 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HG2' HD13 ' A' ' 77' ' ' LEU . 21.5 mt-10 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.1 p90 . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -131.97 157.27 44.49 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.157 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -82.25 170.69 15.11 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -174.712 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 m -53.3 -42.43 66.62 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -66.47 -47.77 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 110.969 -175.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.66 -36.42 84.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.3 tp -64.53 -43.03 95.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.09 176.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -54.49 -52.53 61.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.39 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.9 -37.6 82.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.571 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -63.31 -51.2 67.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 110.097 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.48 -38.49 87.48 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.525 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -60.11 -39.13 85.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.697 0.284 . . . . 0.0 111.004 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.506 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -77.42 -42.31 18.6 Favored Glycine 0 C--O 1.237 0.308 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.939 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.549 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -67.78 -21.03 65.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.777 0.322 . . . . 0.0 111.159 178.804 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.1 tp -85.92 -38.55 17.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.506 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 10.9 pt-20 -70.26 -27.25 64.29 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.341 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 65.5 pttt -74.71 -12.34 60.39 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.923 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.54 HD12 ' HG3' ' A' ' 39' ' ' LYS . 1.7 mp -94.57 137.96 21.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 m -62.18 146.03 51.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.151 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.54 -36.4 82.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.671 -174.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.4 m -77.92 -11.67 59.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.062 0.458 . . . . 0.0 110.661 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -96.25 -19.15 19.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.803 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.8 pp -86.14 156.78 57.27 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.463 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.493 ' HD2' HD12 ' A' ' 49' ' ' LEU . 88.6 Cg_exo -48.91 142.68 19.03 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.41 2.74 . . . . 0.0 113.716 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.79 -31.03 70.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.18 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -56.75 -38.16 72.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.095 0.474 . . . . 0.0 110.669 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.669 ' HB2' HD13 ' A' ' 45' ' ' LEU . 44.8 mt -74.09 -26.99 60.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.311 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -73.87 -28.01 61.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.341 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -70.14 -35.38 74.02 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.823 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 53.9 mt -72.84 140.79 47.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.012 176.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.92 -35.24 14.84 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.198 -172.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -99.61 143.04 30.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.575 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.55 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 47.8 tp -61.28 -49.02 89.76 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.609 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.3 Cg_endo -56.08 -38.12 95.3 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.955 1.77 . . . . 0.0 112.042 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.94 88.29 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.495 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 73.5 mt-30 -63.21 -52.97 60.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.476 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -61.63 -40.44 94.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.492 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.82 -42.36 95.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.557 ' O ' HG22 ' A' ' 65' ' ' THR . 28.9 m80 -69.0 -32.23 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.609 HD21 HD11 ' A' ' 49' ' ' LEU . 55.2 mt -53.18 -52.4 58.94 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 173.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 56.9 mt -58.13 -39.81 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.497 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.76 -47.16 55.49 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -172.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 61' ' ' HIS . 9.6 t -100.24 -25.12 14.36 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -169.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.7 m -145.43 -179.16 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.004 -0.435 . . . . 0.0 111.524 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.6 m -149.94 98.82 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 168.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -175.4 156.14 1.95 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.485 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.826 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 40.4 tp -167.37 111.73 0.7 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 172.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -70.64 115.56 9.94 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.5 m -120.74 18.31 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.006 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.82 168.42 17.44 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.524 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.26 98.21 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.831 0.348 . . . . 0.0 110.572 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.36 -5.78 71.16 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.041 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -106.08 127.02 52.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.849 0.357 . . . . 0.0 110.589 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -136.28 153.9 51.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.248 0.547 . . . . 0.0 110.623 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.826 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 44.3 tp -105.86 118.02 35.52 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.72 176.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.41 154.24 42.22 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.469 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 48.6 p90 -154.03 141.45 19.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.534 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -141.22 143.59 34.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.013 0.435 . . . . 0.0 110.609 173.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -86.9 142.61 27.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.873 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.319 -0.747 0 CA-C-O 121.414 0.626 . . . . 0.0 110.38 176.249 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.497 ' HG2' HD13 ' A' ' 27' ' ' ILE . 98.4 mt-30 . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.401 0.143 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.505 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.6 t70 -109.14 -168.89 1.39 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 174.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -107.18 116.83 32.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.999 0.428 . . . . 0.0 110.712 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 65.6 m-85 -118.77 130.64 55.9 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.0 t -98.72 121.94 49.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.552 HG23 HD21 ' A' ' 24' ' ' LEU . 92.6 t -99.39 117.53 44.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.309 0.576 . . . . 0.0 110.622 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -99.41 129.83 45.63 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.003 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.319 -0.737 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 173.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 40.9 p90 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 121.233 0.54 . . . . 0.0 111.532 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.552 HD21 HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -152.67 162.22 41.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.741 173.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 47.1 p -82.12 171.36 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.204 0.526 . . . . 0.0 112.188 -174.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 9' ' ' GLN . 4.9 m -51.61 -47.17 63.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.308 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.497 HD13 ' HG2' ' A' ' 9' ' ' GLN . 1.7 mp -66.58 -42.69 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.725 0.297 . . . . 0.0 110.767 -177.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.86 -43.23 96.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.8 tp -66.32 -36.72 83.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.808 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -56.74 18.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.134 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.551 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 54.7 mm-40 -61.2 -35.4 77.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.008 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -64.94 -51.54 61.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.448 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.0 mt -62.12 -35.26 78.2 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.08 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 54.5 mtpt -57.96 -40.26 80.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.632 0.253 . . . . 0.0 110.866 176.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.25 -53.15 19.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.951 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.862 ' HB3' HD21 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -57.64 -36.45 71.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.314 178.751 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.58 -43.95 62.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.636 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -75.72 -15.55 60.27 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.729 -175.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -89.01 -5.71 57.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.118 0.485 . . . . 0.0 109.815 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.526 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -95.53 144.13 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.085 172.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 m -59.5 130.95 49.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.97 0.414 . . . . 0.0 110.99 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.484 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . 91.2 m-85 -70.71 -10.77 60.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.086 -175.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.4 p -83.15 -22.55 33.27 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.212 0.529 . . . . 0.0 110.87 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.84 -19.61 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.468 -171.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.87 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.1 pp -72.67 156.26 90.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.709 176.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.61 151.68 24.0 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.231 2.621 . . . . 0.0 113.701 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.21 -28.03 68.85 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.879 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -49.84 -45.89 50.78 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.865 0.841 . . . . 0.0 110.566 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.87 ' HB2' HD13 ' A' ' 45' ' ' LEU . 22.0 mt -79.56 -21.01 45.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.714 -174.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.44 -22.33 54.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.241 0.544 . . . . 0.0 110.129 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -82.69 -34.71 27.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.943 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.7 mt -78.06 119.75 21.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.795 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.57 -30.04 62.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.72 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -98.44 132.57 43.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.703 0.287 . . . . 0.0 111.054 -175.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.523 ' HB3' ' HD3' ' A' ' 56' ' ' PRO . 34.6 tp -58.29 -44.81 99.56 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.358 177.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 53.6 Cg_exo -53.38 -44.19 51.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 122.068 1.845 . . . . 0.0 112.224 174.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.68 93.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.699 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -57.58 -55.86 29.4 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.672 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.01 -35.68 79.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.064 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -61.86 -41.4 97.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.613 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.541 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 61.0 t60 -70.24 -22.58 62.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.725 0.298 . . . . 0.0 110.63 -178.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 59' ' ' ALA . 96.0 mt -65.71 -53.1 45.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 171.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.82 -28.94 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.489 0.661 . . . . 0.0 109.834 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 33.2 t70 -64.72 -58.03 7.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.211 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 t -166.72 21.82 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.4 m -136.5 124.46 22.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.412 -0.805 . . . . 0.0 110.819 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.3 t -132.51 104.01 6.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.01 0.433 . . . . 0.0 111.581 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -172.18 121.83 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.984 169.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.862 HD21 ' HB3' ' A' ' 36' ' ' GLU . 32.5 tp -150.34 111.38 4.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.05 0.452 . . . . 0.0 110.74 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -93.32 107.11 18.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.381 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.558 HG23 ' HG3' ' A' ' 75' ' ' LYS . 24.2 m -98.76 17.95 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.544 -176.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 74.95 172.07 29.39 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.169 -0.538 . . . . 0.0 113.611 173.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 66.85 21.3 10.46 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.34 0.656 . . . . 0.0 112.162 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.23 0.91 87.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.945 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.558 ' HG3' HG23 ' A' ' 71' ' ' VAL . 24.9 pttm -104.42 147.72 27.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.925 0.393 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -124.08 149.0 46.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.68 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.538 HD22 ' HG2' ' A' ' 36' ' ' GLU . 13.1 tp -101.39 115.45 30.53 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -121.19 132.23 54.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.959 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.439 ' CZ2' ' HB3' ' A' ' 62' ' ' LEU . 44.1 p90 -126.37 144.16 50.92 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.892 0.377 . . . . 0.0 110.18 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.61 155.05 46.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.19 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -89.68 131.64 35.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.219 -175.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 121.532 0.682 . . . . 0.0 110.675 174.96 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 . . . . . 0 C--O 1.234 0.277 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -90.03 -158.04 0.5 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -127.41 139.52 52.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.668 0.746 . . . . 0.0 111.436 -174.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -121.05 137.98 54.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.551 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 23' ' ' PHE . 24.9 t -94.45 119.33 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.454 ' CG2' HD21 ' A' ' 24' ' ' LEU . 92.2 t -105.27 124.75 60.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.198 0.523 . . . . 0.0 111.298 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.5 mt -109.99 114.16 27.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.498 176.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.536 ' HB3' HG22 ' A' ' 13' ' ' VAL . 50.9 p90 . . . . . 0 C--O 1.236 0.35 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD12 ' CB ' ' A' ' 28' ' ' GLU . 1.1 pt? -146.09 169.49 18.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.437 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -83.07 162.6 21.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.063 -175.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.469 HG23 HG21 ' A' ' 63' ' ' ILE . 8.8 m -48.52 -47.05 39.31 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.004 0.522 . . . . 0.0 112.099 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.491 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 51.3 mm -60.96 -41.65 89.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.365 0.602 . . . . 0.0 110.846 -178.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.464 ' CB ' HD12 ' A' ' 24' ' ' LEU . 36.3 mt-10 -67.93 -37.09 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.515 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.07 -35.33 79.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.337 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 19.5 mt -52.49 -54.56 30.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.711 173.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -58.38 -37.9 76.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.953 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.78 -57.89 10.11 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.846 0.355 . . . . 0.0 110.562 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.25 -42.63 98.95 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.783 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -54.48 -49.39 70.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.05 -49.34 54.51 Favored Glycine 0 C--O 1.239 0.426 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.429 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.494 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 47.5 mm-40 -60.18 -44.11 95.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.505 0.193 . . . . 0.0 110.524 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.55 -43.45 93.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.879 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HB3' HD21 ' A' ' 55' ' ' LEU . 10.6 pt-20 -69.67 -20.17 63.58 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.552 -175.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.494 ' NZ ' ' HA ' ' A' ' 36' ' ' GLU . 29.9 mtmm -65.89 -32.33 73.77 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.27 172.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -75.34 140.01 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -58.13 133.59 55.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.906 0.384 . . . . 0.0 110.703 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -67.11 -12.37 59.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.899 -176.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 m -96.09 -3.76 44.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.925 0.393 . . . . 0.0 111.017 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.05 -41.82 6.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.072 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.59 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.8 pp -58.49 158.2 15.79 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.293 -178.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.544 ' HD2' HD12 ' A' ' 49' ' ' LEU . 77.0 Cg_exo -43.01 139.29 3.64 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.402 2.734 . . . . 0.0 113.526 -175.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.485 ' HG ' ' HE3' ' A' ' 51' ' ' LYS . 58.0 tp -58.26 -31.59 67.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.459 -177.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -60.99 -39.65 90.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.179 0.514 . . . . 0.0 110.323 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.59 ' HB2' HD13 ' A' ' 45' ' ' LEU . 39.1 mt -72.1 -31.89 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.939 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.96 -27.69 69.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.729 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.485 ' HE3' ' HG ' ' A' ' 47' ' ' LEU . 91.2 mttt -76.65 -34.17 58.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.92 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -74.68 109.29 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.643 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -65.62 -28.69 69.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.311 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -96.02 129.64 43.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.102 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.583 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 43.1 tp -62.94 -45.94 87.19 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.674 177.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.9 Cg_endo -55.89 -31.46 81.42 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 122.28 1.986 . . . . 0.0 112.259 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.55 -40.6 73.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.539 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -60.3 -52.03 67.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.288 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.34 86.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.26 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -63.36 -39.27 94.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.781 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -55.66 -42.43 75.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.56 -52.23 66.08 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.486 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.469 HG21 HG23 ' A' ' 26' ' ' THR . 85.2 mt -55.63 -45.62 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.37 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.44 -37.28 85.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.99 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 66' ' ' SER . 21.7 p -108.6 -79.93 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.527 ' HB2' ' O ' ' A' ' 65' ' ' THR . 24.9 t 156.63 160.23 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.495 1.118 . . . . 0.0 108.223 -174.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 19.9 t -176.04 158.76 2.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.856 0.36 . . . . 0.0 110.24 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -106.87 120.18 41.33 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 172.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 tp -129.07 122.87 30.86 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -171.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.48 113.85 20.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 166.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.633 HG23 ' HB2' ' A' ' 75' ' ' LYS . 7.6 m -90.62 16.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -171.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.95 156.45 32.69 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.349 172.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 67.66 15.51 9.72 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.062 0.545 . . . . 0.0 111.523 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.24 0.31 77.19 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.043 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.633 ' HB2' HG23 ' A' ' 71' ' ' VAL . 41.0 mtmt -79.37 146.62 32.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.277 0.561 . . . . 0.0 110.275 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -124.3 120.08 31.16 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.432 HD22 HG11 ' A' ' 71' ' ' VAL . 43.5 tp -105.49 130.03 53.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.887 0.375 . . . . 0.0 111.336 -174.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -129.83 131.08 46.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.823 175.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -132.66 140.37 48.13 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -134.36 139.46 45.65 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.7 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.61 118.24 26.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.399 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.32 -0.685 0 CA-C-O 121.646 0.736 . . . . 0.0 109.928 177.895 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.935 0.397 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 25' ' ' THR . 13.1 t70 -116.87 -169.07 1.57 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 171.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.39 116.13 31.39 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.68 0.752 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 20.3 m-85 -103.27 140.25 37.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.924 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.8 p -87.13 112.08 22.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.699 0.762 . . . . 0.0 110.711 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.498 HG21 HD13 ' A' ' 29' ' ' LEU . 90.9 t -103.71 129.89 55.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.886 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.574 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . 53.7 mt -92.3 102.11 14.6 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.592 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.814 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.515 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 22.7 p90 . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 121.405 0.621 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -134.83 172.78 12.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.069 -176.08 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 31.6 p -89.83 168.98 11.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.036 0.445 . . . . 0.0 111.5 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -51.22 -52.67 42.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.267 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.04 -37.42 67.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.132 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.18 -50.69 63.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.712 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.498 HD13 HG21 ' A' ' 14' ' ' VAL . 36.4 tp -60.8 -33.44 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.659 -178.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 60' ' ' GLN . 5.1 mt -56.97 -62.7 1.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.097 175.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 52.2 mm-40 -60.95 -33.56 73.37 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.17 -176.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -57.12 14.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.732 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.01 -37.06 86.06 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.545 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 56.6 mtpt -56.54 -38.25 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.602 0.239 . . . . 0.0 111.039 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.637 ' O ' ' HG3' ' A' ' 39' ' ' LYS . . . -70.76 -53.81 11.07 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.036 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.482 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -61.32 -32.3 72.17 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.454 -0.439 . . . . 0.0 111.051 179.829 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.0 tp -66.47 -40.11 89.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.34 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.619 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 3.2 pp20? -76.57 -13.68 60.06 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.804 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.637 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 45.1 mttm -81.88 -27.24 33.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.033 0.444 . . . . 0.0 110.575 173.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.6 mp -80.38 142.05 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.078 177.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.5 m -60.32 140.47 57.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.059 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.13 -21.78 63.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.931 0.396 . . . . 0.0 111.119 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -92.03 0.53 57.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -107.63 -34.16 7.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.765 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -67.04 153.63 94.15 Favored Pre-proline 0 C--O 1.238 0.452 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.631 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.475 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 79.9 Cg_exo -46.48 142.51 9.46 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.503 2.802 . . . . 0.0 113.701 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -37.42 74.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.395 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 3.9 tp10 -57.65 -33.07 67.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.616 0.722 . . . . 0.0 110.431 -176.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.543 ' HB2' HD13 ' A' ' 45' ' ' LEU . 36.0 mt -72.42 -26.3 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.155 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -73.61 -25.37 60.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.869 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 5.2 mptp? -70.05 -36.02 74.69 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.381 0.61 . . . . 0.0 110.209 171.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.543 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 68.3 mt -78.48 112.52 15.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.539 -178.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.13 -34.65 78.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.898 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 t -92.17 123.96 35.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 49.2 tp -54.8 -49.82 89.48 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.771 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.2 Cg_endo -56.79 -39.62 90.08 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 121.83 1.687 . . . . 0.0 112.637 175.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.88 78.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.761 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.543 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 78.2 mt-30 -61.38 -51.14 70.03 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.275 176.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.558 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -61.54 -39.47 91.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.921 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.419 ' HB2' HD21 ' A' ' 30' ' ' LEU . 23.8 tp60 -62.64 -40.18 96.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.584 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -65.68 -34.79 79.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.571 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.78 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 92.4 mt -58.61 -49.0 79.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.076 0.465 . . . . 0.0 110.128 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.643 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 38.5 mt -63.54 -37.95 80.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.677 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -68.14 -61.91 1.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.478 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 p -150.39 70.42 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.78 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 49.0 m -147.91 -174.9 4.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.318 -0.239 . . . . 0.0 110.481 171.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 57.9 m -107.02 -166.13 1.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.421 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 77' ' ' LEU . 3.0 mp0 -94.35 176.37 6.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -141.81 153.56 44.6 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.926 0.394 . . . . 0.0 111.748 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -85.05 126.45 33.58 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.447 HG23 ' HG3' ' A' ' 75' ' ' LYS . 32.8 m -105.27 14.17 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.857 -172.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 94.17 149.45 25.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.991 176.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 72.01 18.63 4.88 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.33 0.652 . . . . 0.0 112.126 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.25 -8.67 69.89 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.709 -0.758 . . . . 0.0 113.227 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 25.7 pttm -89.62 143.33 26.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -113.56 170.98 7.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 36.6 tp -135.02 111.67 9.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.623 176.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.574 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 1.6 mp0 -113.55 143.03 45.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.057 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.643 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 38.2 p90 -147.06 137.92 23.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 176.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -142.12 137.87 31.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.119 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.07 113.45 18.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.799 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.042 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.533 ' HG2' HG12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.929 0.395 . . . . 0.0 111.214 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.88 154.26 41.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.223 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.578 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 4.1 p-10 -107.07 147.02 30.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.219 0.533 . . . . 0.0 111.239 -176.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.431 ' HD1' ' HA ' ' A' ' 81' ' ' ALA . 96.6 m-85 -115.4 144.3 44.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.575 177.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.546 ' HB ' ' HD2' ' A' ' 80' ' ' TYR . 59.3 t -86.07 106.91 15.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.516 HG21 HD13 ' A' ' 29' ' ' LEU . 22.4 t -112.05 103.8 16.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.517 -175.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -95.38 101.74 13.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.026 0.441 . . . . 0.0 110.152 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.913 -177.158 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.466 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . 3.5 p90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.951 0.405 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 28' ' ' GLU . 1.3 pt? -136.47 164.68 27.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.582 -165.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 11' ' ' ASN . 43.9 p -77.36 169.55 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.919 -174.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 m -49.59 -46.69 49.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.919 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.533 HG12 ' HG2' ' A' ' 9' ' ' GLN . 44.7 mm -67.09 -43.44 88.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -177.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.517 ' HB3' HD12 ' A' ' 24' ' ' LEU . 20.7 mm-40 -63.21 -41.53 99.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.163 0.506 . . . . 0.0 110.104 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 14' ' ' VAL . 64.8 tp -60.97 -41.71 96.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.268 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.0 mt -53.84 -52.08 61.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.891 175.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.478 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 7.3 mm-40 -58.09 -40.13 80.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.447 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 23.1 ttmm -69.03 -52.54 27.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.648 176.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.1 mt -55.8 -46.34 78.05 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.721 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 43.6 mtmt -57.95 -41.35 82.67 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.282 0.364 . . . . 0.0 111.006 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.519 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -69.05 -46.82 57.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.433 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 6.6 mm-40 -69.22 -19.07 63.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.188 0.518 . . . . 0.0 110.36 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 tp -84.62 -42.73 15.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.228 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -70.67 -20.84 62.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.397 -176.701 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 17.7 ptpt -77.58 -8.16 57.42 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.92 0.391 . . . . 0.0 110.455 175.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.0 mt -94.93 142.84 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -67.06 135.58 53.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.056 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.425 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 84.6 m-85 -67.7 -10.64 54.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.335 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.5 p -83.33 -14.35 53.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.92 0.391 . . . . 0.0 110.924 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -110.54 -37.82 5.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.654 -171.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.713 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.6 pp -63.0 153.44 80.81 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.064 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' HD12 ' A' ' 49' ' ' LEU . 98.5 Cg_exo -45.03 145.14 3.28 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.674 2.916 . . . . 0.0 113.909 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.524 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 41.6 tp -60.25 -30.54 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.219 -177.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.03 -43.01 63.53 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.506 0.67 . . . . 0.0 110.671 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.713 ' HB2' HD13 ' A' ' 45' ' ' LEU . 27.4 mt -78.73 -17.1 56.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.907 -176.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -81.91 -18.93 41.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.87 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 47' ' ' LEU . 91.3 mttt -83.26 -34.43 25.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.911 177.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 58' ' ' GLN . 62.2 mt -85.23 134.63 34.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.282 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.78 -30.86 16.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.861 0.363 . . . . 0.0 111.283 -177.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -92.04 138.25 31.69 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.745 0.307 . . . . 0.0 110.828 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.559 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 12.7 tp -62.66 -48.07 86.75 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.659 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.8 Cg_endo -55.29 -38.09 94.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 122.247 1.965 . . . . 0.0 112.229 176.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -45.78 84.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.608 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.459 ' HB3' HD22 ' A' ' 49' ' ' LEU . 79.5 mt-30 -59.4 -51.22 70.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.761 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 62' ' ' LEU . . . -61.87 -40.53 95.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.657 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.57 -36.57 82.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.684 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.508 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 46.8 t60 -64.89 -27.56 68.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.226 0.536 . . . . 0.0 109.922 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 95.3 mt -64.64 -51.79 60.75 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.04 -36.23 66.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.676 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.508 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 3.5 p30 -86.81 -34.68 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -174.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 p -129.03 -36.86 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.6 m -128.83 124.59 35.76 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 119.772 -0.771 . . . . 0.0 112.725 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 64.4 m -117.09 101.59 8.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.21 0.528 . . . . 0.0 110.443 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -173.01 118.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.4 tp -157.59 111.74 2.61 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.105 -177.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.56 117.76 32.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 170.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.504 HG12 ' HB3' ' A' ' 36' ' ' GLU . 29.6 m -86.09 4.49 3.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.698 -171.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.55 111.46 1.2 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.337 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 56.93 70.72 0.63 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.84 19.02 74.79 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.949 -0.569 . . . . 0.0 113.585 171.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -114.63 120.54 40.5 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -107.55 151.05 26.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.286 0.565 . . . . 0.0 111.835 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.1 tp -119.41 112.1 18.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.694 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -125.2 132.94 52.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 34.7 p90 -118.82 122.17 41.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.196 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.546 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 2.0 m-85 -97.57 122.26 40.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.431 ' HA ' ' HD1' ' A' ' 12' ' ' PHE . . . -74.94 111.67 10.38 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.442 -0.845 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.677 -179.216 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.496 ' OE1' ' HB ' ' A' ' 25' ' ' THR . 43.0 mt-30 . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 120.881 0.372 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -104.2 162.47 13.16 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -106.52 115.79 30.82 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.521 0.677 . . . . 0.0 109.51 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 86.0 m-85 -110.7 131.08 55.36 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.258 -176.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p -86.24 107.06 16.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.781 0.8 . . . . 0.0 109.723 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.0 t -93.51 123.99 45.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.078 -175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 mt -91.73 102.16 14.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.087 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.487 -176.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 14.5 p90 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.9 pp -121.63 175.15 6.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.11 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.496 ' HB ' ' OE1' ' A' ' 9' ' ' GLN . 50.1 p -80.57 162.56 24.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.776 -174.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -55.91 -39.72 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.635 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.4 HG12 ' OE1' ' A' ' 9' ' ' GLN . 33.4 mm -60.28 -45.13 96.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.819 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.488 ' HB2' HD13 ' A' ' 24' ' ' LEU . 38.7 mt-10 -62.35 -39.84 94.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.07 -42.71 80.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.385 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 30' ' ' LEU . 7.5 mt -58.0 -55.36 35.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.391 178.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.67 -39.46 77.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.374 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -63.4 -53.8 46.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.0 mt -57.37 -44.82 84.72 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.011 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -57.81 -54.7 43.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.771 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -65.34 -46.88 84.59 Favored Glycine 0 C--O 1.24 0.506 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.133 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.04 73.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.635 -0.283 . . . . 0.0 111.494 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.3 tp -79.82 -37.36 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.349 0.406 . . . . 0.0 111.786 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 1.8 pp20? -68.68 -25.65 64.9 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.186 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -82.09 -5.18 58.21 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.235 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mp -85.49 140.23 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 170.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 m -60.56 138.96 57.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.018 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -63.68 -34.8 78.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.7 p -86.54 10.82 14.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.996 0.427 . . . . 0.0 111.077 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -113.24 -36.27 5.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.649 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.646 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.2 pp -73.03 158.54 86.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.014 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD2' HD12 ' A' ' 49' ' ' LEU . 86.4 Cg_exo -47.42 144.39 10.05 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.482 2.788 . . . . 0.0 113.631 -177.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.55 -28.22 69.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.146 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 48' ' ' GLU . 21.8 mp0 -61.33 -41.05 96.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.312 0.577 . . . . 0.0 109.599 177.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.646 ' HB2' HD13 ' A' ' 45' ' ' LEU . 48.7 mt -74.59 -27.58 60.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.902 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -68.0 -22.76 64.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.525 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -85.46 -29.11 24.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.076 0.465 . . . . 0.0 110.349 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.94 106.91 13.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.771 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.32 -24.51 63.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.421 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -93.74 124.53 37.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.532 ' HB3' ' HD3' ' A' ' 56' ' ' PRO . 59.4 tp -57.94 -46.25 99.72 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.226 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 51.6 Cg_exo -56.52 -38.17 95.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 121.844 1.696 . . . . 0.0 112.13 174.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.76 82.0 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.731 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.542 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 51.5 mt-30 -55.34 -52.16 64.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.488 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.62 95.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.398 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -63.6 -42.45 98.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.105 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -64.53 -30.68 71.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.994 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.856 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.7 mt -60.77 -50.19 74.44 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.606 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 73.6 mt -59.16 -45.76 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.695 177.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -64.9 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.128 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.18 70.17 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.042 0.449 . . . . 0.0 111.965 -176.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.856 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 57.5 m -146.05 -169.78 3.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.768 0.318 . . . . 0.0 110.412 170.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.502 ' HB3' ' OE1' ' A' ' 68' ' ' GLU . 60.5 m -103.2 -149.26 0.4 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.321 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.502 ' OE1' ' HB3' ' A' ' 67' ' ' CYS . 2.2 pm0 -94.64 165.18 12.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.858 0.361 . . . . 0.0 110.22 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -131.11 123.33 28.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.207 -174.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -83.91 132.95 34.74 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 168.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 75' ' ' LYS . 27.5 m -112.33 26.64 3.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -168.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.18 176.53 51.53 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.229 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 59.03 15.88 4.31 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.921 0.488 . . . . 0.0 112.078 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.27 7.25 77.33 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 121.422 -0.418 . . . . 0.0 113.343 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' HG3' HG23 ' A' ' 71' ' ' VAL . 19.8 ptmt -100.35 140.81 34.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.194 0.497 . . . . 0.0 110.54 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -111.26 142.69 43.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.015 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.4 tp -114.35 112.2 22.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.502 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -122.58 131.87 54.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.327 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.606 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 30.8 p90 -136.61 137.64 40.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.846 0.355 . . . . 0.0 110.187 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -141.59 145.96 35.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.335 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.48 136.46 36.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.408 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.792 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.649 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 77.5 mt-30 . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' THR . 15.3 m-20 -67.73 166.1 15.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.493 -177.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -106.55 125.7 51.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.407 0.622 . . . . 0.0 109.973 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -124.14 139.81 53.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.65 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 80' ' ' TYR . 28.0 m -94.01 129.31 44.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.7 t -102.87 117.5 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.484 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.574 HD21 ' HD1' ' A' ' 80' ' ' TYR . 0.4 OUTLIER -119.36 101.92 8.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.698 0.761 . . . . 0.0 109.705 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 75' ' ' LYS . 46.7 mt-10 . . . . . 0 C--N 1.314 -0.953 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.579 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.7 p90 . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -143.28 172.97 12.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.542 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.649 ' HB ' ' HB3' ' A' ' 9' ' ' GLN . 81.1 p -85.84 170.47 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -172.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 m -52.43 -45.81 66.14 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.032 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.445 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 46.9 mm -61.94 -47.18 94.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.625 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 9.5 mm-40 -55.86 -46.02 78.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.016 176.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.8 tp -65.09 -44.57 88.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.8 mt -52.59 -51.86 57.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.755 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 19.8 mm-40 -65.14 -38.18 89.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.151 -174.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 3.7 ptpp? -79.76 -33.18 40.88 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.251 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.99 -45.91 92.91 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.574 ' HG2' ' HG ' ' A' ' 55' ' ' LEU . 9.1 mtpp -57.3 -46.03 83.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.255 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.99 -48.64 78.83 Favored Glycine 0 C--O 1.237 0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.516 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 7.4 mm-40 -73.82 -18.71 60.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.704 0.287 . . . . 0.0 111.284 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.4 tp -82.93 -37.29 24.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.707 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -78.46 -16.69 57.29 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.099 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -81.93 -7.08 59.58 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.279 0.561 . . . . 0.0 109.602 172.129 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.5 mt -94.07 138.4 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.814 175.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.434 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 16.1 m -69.6 150.19 47.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.815 0.341 . . . . 0.0 110.535 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.496 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 85.4 m-85 -68.95 -14.79 63.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.2 t -85.48 -12.91 50.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.512 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' A' ' 41' ' ' SER . 29.5 m-20 -95.29 -39.13 10.21 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.895 0.378 . . . . 0.0 110.564 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.6 pp -72.68 146.37 88.22 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.41 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.488 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 22.2 Cg_endo -61.64 158.81 35.26 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.872 2.381 . . . . 0.0 113.519 -176.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.419 HD12 ' OE1' ' A' ' 50' ' ' GLN . 43.1 tp -52.42 -34.12 47.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.761 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -51.17 -47.76 62.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.699 ' HB2' HD13 ' A' ' 45' ' ' LEU . 24.1 mt -78.69 -15.31 58.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.547 -174.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.419 ' OE1' HD12 ' A' ' 47' ' ' LEU . 74.3 mt-30 -76.15 -33.11 59.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.032 0.444 . . . . 0.0 109.975 177.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -87.43 -23.3 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.045 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.451 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 96.2 mt -76.86 106.38 8.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.969 0.414 . . . . 0.0 109.927 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.91 -24.18 64.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.542 -173.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.6 m -100.08 129.65 46.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.276 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.582 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 17.7 tp -63.02 -46.05 86.84 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.536 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.7 Cg_endo -55.33 -39.14 92.64 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 121.939 1.759 . . . . 0.0 112.451 175.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.54 86.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.872 0.367 . . . . 0.0 110.793 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.522 ' HB3' HD22 ' A' ' 49' ' ' LEU . 77.0 mt-30 -62.97 -53.86 47.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.339 177.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.57 95.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.341 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.1 -36.58 84.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.45 -39.02 89.33 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.126 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.814 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.1 mt -59.47 -51.0 71.75 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.267 177.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.79 -48.97 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.567 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.7 -50.68 71.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.709 -175.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.9 t -164.87 78.99 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.784 0.802 . . . . 0.0 111.687 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.814 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 51.4 m -150.65 -174.97 4.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.609 169.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.2 m -101.64 -147.55 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.33 164.07 13.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.77 0.319 . . . . 0.0 110.519 -174.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.6 tp -121.55 117.29 26.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.197 -172.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -74.08 114.87 12.91 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 171.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.516 ' CG1' ' HB3' ' A' ' 36' ' ' GLU . 10.2 m -110.98 23.38 4.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.106 0.479 . . . . 0.0 111.736 -172.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.97 174.34 50.3 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.998 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.18 18.21 11.13 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.179 0.592 . . . . 0.0 111.742 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.21 13.74 79.44 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.472 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.487 ' HE3' ' CG2' ' A' ' 71' ' ' VAL . 34.1 ttpt -108.48 123.41 48.83 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.115 0.483 . . . . 0.0 110.387 -177.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -93.58 136.8 33.5 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.05 111.77 23.7 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.552 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . 44.8 tp60 -116.86 131.39 56.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.903 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -128.41 129.47 46.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.176 0.512 . . . . 0.0 110.105 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.574 ' HD1' HD21 ' A' ' 15' ' ' LEU . 9.5 m-85 -105.82 123.13 47.45 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.679 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.67 111.22 13.22 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 171.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.319 -0.725 0 CA-C-O 121.448 0.642 . . . . 0.0 110.416 -176.769 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 . . . . . 0 N--CA 1.449 -0.524 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -110.93 -158.79 0.66 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -111.93 136.77 50.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.469 0.652 . . . . 0.0 111.976 -171.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -117.2 123.96 47.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.27 174.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.8 t -86.39 113.58 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG21 HD13 ' A' ' 29' ' ' LEU . 65.7 t -109.5 125.13 66.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.731 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.3 mt -96.35 113.81 25.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.594 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.137 -175.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 p90 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -147.71 167.99 23.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.095 -178.618 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' A' ' 28' ' ' GLU . 3.2 p -81.92 168.2 18.15 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -48.4 -52.19 23.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.488 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -60.79 -44.04 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.407 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.531 ' HB2' HD12 ' A' ' 24' ' ' LEU . 4.2 mm-40 -65.92 -41.14 91.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 -177.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.442 HD13 HG21 ' A' ' 14' ' ' VAL . 66.3 tp -63.18 -40.9 98.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.495 178.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -56.82 -52.57 64.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.133 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.58 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 65.6 mm-40 -65.83 -31.07 71.82 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.56 -178.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -68.25 -49.48 60.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.643 0.258 . . . . 0.0 110.355 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.3 mt -58.08 -49.26 77.54 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.399 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.58 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 9.2 ptmm? -64.58 -22.38 66.96 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -177.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.635 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -84.22 -45.35 6.26 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.319 -0.944 . . . . 0.0 111.196 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.532 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 20.6 tp10 -64.01 -29.83 70.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.495 0.664 . . . . 0.0 109.762 177.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 tp -75.25 -40.35 58.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.625 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -72.9 -14.11 61.41 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.948 0.404 . . . . 0.0 110.86 -179.459 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 50.9 mtpt -65.8 -28.53 69.08 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.68 0.753 . . . . 0.0 109.962 169.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.406 HD11 HG12 ' A' ' 71' ' ' VAL . 56.5 mt -84.8 144.9 8.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.973 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -66.91 147.6 53.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.843 0.354 . . . . 0.0 110.702 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 79.7 m-85 -64.2 -26.85 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -172.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -95.69 -4.25 44.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.035 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -93.25 -32.4 14.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.103 0.478 . . . . 0.0 110.319 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.3 pp -73.4 164.94 57.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.793 178.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.556 ' HD2' HD12 ' A' ' 49' ' ' LEU . 97.7 Cg_exo -46.83 147.11 5.0 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.461 2.774 . . . . 0.0 113.704 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -43.58 96.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.49 -176.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.67 -38.73 75.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.56 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.636 ' HB2' HD13 ' A' ' 45' ' ' LEU . 31.4 mt -70.34 -29.94 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.243 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 42' ' ' PHE . 78.3 mt-30 -64.1 -35.06 79.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.321 177.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 31.6 mmtp -81.89 -21.15 37.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 95.5 mt -76.21 105.75 7.43 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -69.79 -21.37 63.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.25 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.8 p -103.05 130.05 50.04 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.048 0.451 . . . . 0.0 110.607 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.601 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 36.8 tp -61.98 -46.59 91.98 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.855 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.5 Cg_endo -53.09 -36.02 74.86 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.261 1.974 . . . . 0.0 113.054 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.86 -36.6 78.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 110.965 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.467 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 74.5 mt-30 -60.94 -50.15 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.965 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.427 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -67.25 -34.56 77.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.835 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -66.12 -40.05 90.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.653 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -62.86 -36.9 84.8 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.681 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 96.4 mt -58.9 -51.77 68.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.585 175.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.01 -39.45 85.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.284 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.38 -67.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.627 -175.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.2 47.17 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.681 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 45.9 m -117.52 -177.73 3.3 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.979 178.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.5 p -102.91 -147.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.543 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -94.14 161.76 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 111.137 -173.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.4 tp -118.21 113.98 22.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.286 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.24 129.36 34.56 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.516 HG11 ' HG3' ' A' ' 36' ' ' GLU . 17.0 m -130.15 15.61 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.26 0.466 . . . . 0.0 112.26 -171.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.51 -155.18 52.89 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.792 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 58.9 16.48 4.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 122.923 0.489 . . . . 0.0 111.52 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.21 18.31 79.76 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.424 -177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HE3' HG21 ' A' ' 71' ' ' VAL . 57.5 pttt -130.51 148.17 52.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.301 0.572 . . . . 0.0 111.03 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.86 131.03 56.98 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.404 HD22 ' HG2' ' A' ' 36' ' ' GLU . 48.3 tp -91.29 110.97 22.27 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -120.44 141.65 49.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.619 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.401 ' HZ2' ' HB3' ' A' ' 62' ' ' LEU . 37.2 p90 -147.87 139.85 24.11 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -133.43 129.44 37.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.15 0.5 . . . . 0.0 110.349 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.12 134.72 44.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.064 -177.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.9 m . . . . . 0 C--N 1.32 -0.713 0 CA-C-O 121.249 0.547 . . . . 0.0 110.107 175.245 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.513 ' OE1' ' HB ' ' A' ' 26' ' ' THR . 24.7 mm-40 . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -74.46 152.73 39.4 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -106.12 116.88 32.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.68 0.752 . . . . 0.0 109.344 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -100.56 132.11 46.12 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.311 -174.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.4 t -86.43 104.61 13.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 29' ' ' LEU . 61.0 t -111.35 134.47 53.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.338 -176.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.6 mt -117.04 128.19 54.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.033 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 121.386 0.612 . . . . 0.0 111.773 178.705 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.6 p90 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 24' ' ' LEU . 1.8 pt? -151.52 163.14 39.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.484 176.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p -79.99 167.74 20.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.317 0.579 . . . . 0.0 112.031 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.513 ' HB ' ' OE1' ' A' ' 9' ' ' GLN . 10.9 m -49.07 -43.66 41.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.873 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 49.0 mm -67.3 -40.11 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.51 -40.59 70.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.783 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 14' ' ' VAL . 45.7 tp -62.13 -37.04 83.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.018 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 18.3 mt -54.42 -58.07 8.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.456 173.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.504 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 4.4 mm-40 -56.87 -40.02 75.42 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.072 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -65.02 -47.74 76.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.826 0.346 . . . . 0.0 110.688 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.2 mt -67.41 -48.24 67.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.866 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 10.0 ptmm? -64.52 -26.72 68.55 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.28 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.533 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -71.71 -44.55 48.17 Favored Glycine 0 C--O 1.238 0.362 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.006 177.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 27.4 mt-10 -80.48 -18.64 48.03 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.961 -0.729 . . . . 0.0 110.385 179.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -76.49 -37.97 55.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.629 174.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 12.4 pt-20 -70.66 -30.93 67.68 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.911 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.604 ' HG2' ' HA ' ' A' ' 36' ' ' GLU . 7.8 ptpp? -79.7 -12.36 59.81 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.005 175.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -81.89 143.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.53 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 m -68.61 144.02 54.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.066 0.46 . . . . 0.0 111.228 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -68.83 -16.72 63.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.595 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 p -90.53 -5.2 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.295 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.8 -27.57 8.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.619 -174.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.0 pp -72.86 154.37 91.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 176.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HD2' HD12 ' A' ' 49' ' ' LEU . 71.9 Cg_exo -51.19 147.84 19.69 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.188 2.592 . . . . 0.0 113.606 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.81 -33.26 72.74 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.289 -176.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 47.9 mt-10 -57.55 -38.09 74.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.918 0.39 . . . . 0.0 110.498 177.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.593 ' HB2' HD13 ' A' ' 45' ' ' LEU . 24.5 mt -73.24 -31.55 64.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.274 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -63.94 -29.15 70.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.523 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -83.08 -28.02 29.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.869 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 93.2 mt -74.99 109.15 8.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.134 0.493 . . . . 0.0 110.721 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.46 -28.55 67.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.261 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 m -94.97 130.02 41.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.933 0.397 . . . . 0.0 111.202 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.557 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 40.6 tp -61.39 -47.7 92.98 Favored Pre-proline 0 CA--C 1.542 0.663 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.975 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.4 Cg_endo -56.06 -38.32 94.97 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.123 1.882 . . . . 0.0 112.617 177.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.0 94.61 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.918 0.39 . . . . 0.0 110.833 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 55' ' ' LEU . 46.3 mt-30 -60.83 -50.41 73.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.027 177.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.95 89.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -65.6 -41.39 92.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.059 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -55.7 -38.49 69.76 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.074 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.0 mt -63.2 -58.25 7.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.079 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.524 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 89.5 mt -49.79 -37.71 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.612 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.24 -55.22 6.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.58 -172.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.1 t -144.1 -0.37 1.01 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.534 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 39.5 m -125.26 124.8 42.45 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.396 -0.815 . . . . 0.0 112.14 -175.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 67.3 m -131.52 100.12 5.04 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.947 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 67' ' ' CYS . 7.6 mm-40 -173.91 118.28 0.26 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.159 175.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.6 tp -151.96 110.77 3.83 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.267 0.556 . . . . 0.0 111.382 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.412 ' HA ' ' CE1' ' A' ' 76' ' ' TYR . 20.7 t70 -88.55 95.5 10.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.119 173.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.478 HG21 ' HE3' ' A' ' 75' ' ' LYS . 30.2 m -87.32 -19.39 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.587 -175.276 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 73.72 -151.99 45.33 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.032 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 60.68 13.28 4.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.773 0.429 . . . . 0.0 111.896 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.67 5.03 88.64 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.757 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' HE3' HG21 ' A' ' 71' ' ' VAL . 48.1 pttt -121.14 168.97 10.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.367 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.412 ' CE1' ' HA ' ' A' ' 70' ' ' ASP . 5.8 m-85 -137.46 139.88 40.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.529 173.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 tp -115.97 128.3 55.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.381 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -153.26 159.23 42.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.93 174.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.524 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 24.3 p90 -144.87 136.72 25.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.083 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -101.87 98.29 8.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.769 0.795 . . . . 0.0 109.707 173.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.48 118.29 12.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.388 -175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 121.361 0.601 . . . . 0.0 110.537 177.067 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.881 ' N ' HE21 ' A' ' 9' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.01 -179.15 5.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.8 0.334 . . . . 0.0 111.053 -178.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 19.8 p30 -142.1 152.26 43.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.089 0.471 . . . . 0.0 110.998 -178.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -130.37 153.9 48.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.372 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -89.37 117.28 32.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.321 0.581 . . . . 0.0 109.714 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -99.71 120.39 49.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.778 -174.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt -107.08 116.2 31.52 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.334 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 . . . . . 0 C--N 1.322 -0.613 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.913 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.3 p90 . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.943 0.402 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 pp -138.19 163.22 32.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.623 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -80.64 169.3 17.82 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.191 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.47 -53.55 36.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.75 -175.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 mm -59.79 -41.56 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.272 0.558 . . . . 0.0 110.896 -175.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -60.75 -44.02 97.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.427 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.1 tp -68.04 -36.84 80.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.216 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.2 mt -55.44 -57.45 11.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.191 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.48 -29.59 70.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.416 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -67.9 -50.44 56.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.74 -45.15 94.05 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.36 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -51.66 -46.46 63.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.54 -44.73 57.09 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.807 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' HD13 ' A' ' 40' ' ' ILE . 44.5 mt-10 -75.55 -19.08 59.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.977 0.418 . . . . 0.0 110.942 -177.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' A' ' 58' ' ' GLN . 60.9 tp -81.27 -42.57 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.827 176.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.39 -24.5 64.78 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.247 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HD3' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -83.13 -10.76 58.48 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.805 175.71 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.583 HG22 HD23 ' A' ' 45' ' ' LEU . 1.1 mp -81.86 141.91 14.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 m -70.35 143.25 52.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.73 0.3 . . . . 0.0 110.835 -177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.516 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 88.2 m-85 -65.35 -20.33 66.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.173 0.511 . . . . 0.0 110.701 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -75.9 -17.08 59.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.77 177.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -103.25 -33.17 9.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.933 -174.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.583 HD23 HG22 ' A' ' 40' ' ' ILE . 3.9 pp -78.17 147.82 73.59 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.406 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.589 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 19.6 Cg_endo -58.4 156.05 32.81 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 123.049 2.499 . . . . 0.0 113.411 -176.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.437 ' HG ' ' HE2' ' A' ' 51' ' ' LYS . 64.7 tp -61.5 -27.89 68.91 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.225 -177.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -57.03 -42.6 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.589 ' HG ' ' HG2' ' A' ' 46' ' ' PRO . 44.8 mt -75.48 -27.31 58.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.276 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -67.92 -29.95 69.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.589 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.437 ' HE2' ' HG ' ' A' ' 47' ' ' LEU . 68.1 mttm -81.61 -33.62 31.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.948 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.34 111.64 3.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.15 0.5 . . . . 0.0 110.246 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -73.29 -15.31 61.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.321 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 p -111.13 128.49 55.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.095 0.474 . . . . 0.0 111.388 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.591 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 54.0 tp -57.53 -46.9 99.74 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.939 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.3 Cg_endo -53.41 -41.91 69.5 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.304 2.003 . . . . 0.0 112.824 176.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.01 81.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.64 0.257 . . . . 0.0 110.856 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' HB3' HD21 ' A' ' 37' ' ' LEU . 80.2 mt-30 -59.54 -54.78 42.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.459 176.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.82 -37.8 88.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.047 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.24 -42.83 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.558 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 37.3 t60 -67.74 -32.39 72.97 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.19 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 59' ' ' ALA . 92.4 mt -59.18 -46.37 88.57 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 173.23 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.7 mt -61.63 -37.32 77.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.994 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.558 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 57.5 m-20 -59.28 -39.03 81.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.064 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 66' ' ' SER . 1.8 t -106.76 -79.03 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.806 -0.357 . . . . 0.0 111.513 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.731 ' H ' HG23 ' A' ' 65' ' ' THR . 18.0 m 162.28 173.37 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.199 1.4 . . . . 0.0 108.184 -171.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.421 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 48.1 t 179.72 154.0 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -110.41 117.5 33.76 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.1 tp -118.0 116.34 26.7 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.835 -170.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -81.29 115.69 20.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 169.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 75' ' ' LYS . 12.6 m -85.88 7.36 2.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.906 0.384 . . . . 0.0 111.772 -172.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.01 -36.55 3.79 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.018 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.45 21.85 2.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.878 0.37 . . . . 0.0 111.384 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.34 -3.43 77.71 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.365 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . 39.9 mtmt -89.38 137.72 32.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -111.6 120.78 43.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.958 0.408 . . . . 0.0 110.031 178.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -89.32 117.02 27.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.411 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -129.3 141.03 51.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.899 178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.421 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 9.5 p90 -149.6 148.12 28.95 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -142.05 153.44 44.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 170.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.77 134.93 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.705 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 121.433 0.635 . . . . 0.0 110.731 177.752 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.464 ' HG2' HG12 ' A' ' 27' ' ' ILE . 47.6 mt-30 . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 121.49 0.662 . . . . 0.0 112.404 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.496 ' O ' ' HA ' ' A' ' 25' ' ' THR . 5.2 t70 -115.52 -173.49 2.34 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 169.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.51 129.1 56.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.587 0.708 . . . . 0.0 111.451 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -128.44 134.78 48.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.839 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . 7.6 p -86.68 119.78 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.442 0.639 . . . . 0.0 109.744 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' A' ' 29' ' ' LEU . 58.2 t -107.31 114.87 47.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.727 -175.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.1 mt -91.36 101.99 14.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.733 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.737 -179.558 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.559 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 29.0 p90 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.041 0.448 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.32 172.57 7.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.803 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 9.9 p -81.79 161.55 23.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.205 0.526 . . . . 0.0 112.299 -174.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.6 m -53.93 -44.63 70.77 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.111 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.464 HG12 ' HG2' ' A' ' 9' ' ' GLN . 38.2 mm -67.05 -39.36 83.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.95 0.405 . . . . 0.0 110.809 -177.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.09 -41.06 95.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.959 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.429 HD13 ' CG2' ' A' ' 14' ' ' VAL . 38.6 tp -63.51 -41.67 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.459 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -56.61 -51.51 68.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.495 -179.465 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.44 -34.09 77.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.585 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 26.9 mtpp -62.48 -49.77 74.07 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 173.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 33' ' ' LEU . 45.3 mt -60.42 -42.51 96.17 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.232 178.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 56.4 mtpt -55.72 -53.13 60.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.622 0.249 . . . . 0.0 110.584 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.34 -43.22 95.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.495 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.563 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -71.22 -19.57 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.677 0.275 . . . . 0.0 111.388 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 tp -86.33 -39.1 16.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.635 0.255 . . . . 0.0 110.933 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.527 ' HB3' HD21 ' A' ' 55' ' ' LEU . 13.0 pt-20 -73.41 -20.0 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.637 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -80.02 -5.11 55.18 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.542 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.563 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.7 mp -99.13 145.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 172.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 22.9 t -56.22 133.8 52.68 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.245 0.545 . . . . 0.0 110.957 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -69.59 -19.08 63.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.893 -175.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.1 p -93.88 -8.33 40.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 3.8 m-20 -115.62 -9.65 11.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.861 -172.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.1 pp -68.07 158.16 84.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.51 175.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.56 ' HD2' HD12 ' A' ' 49' ' ' LEU . 84.5 Cg_exo -44.06 143.38 3.32 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.559 2.839 . . . . 0.0 114.233 -175.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.31 -29.93 67.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.983 -176.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.2 -35.2 79.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.401 0.62 . . . . 0.0 110.672 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.657 ' HB2' HD13 ' A' ' 45' ' ' LEU . 28.9 mt -75.83 -20.5 58.12 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.683 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -76.81 -25.57 53.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.177 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -72.32 -34.83 68.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.244 0.545 . . . . 0.0 110.023 174.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.491 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 43.1 mt -79.7 137.68 37.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.266 175.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -85.08 -37.78 19.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.955 0.407 . . . . 0.0 111.209 -173.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 8.7 t -102.7 144.25 31.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -173.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 38' ' ' GLU . 25.5 tp -62.79 -50.46 77.53 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.243 -177.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.9 Cg_endo -55.32 -39.22 92.19 Favored 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 122.102 1.868 . . . . 0.0 112.26 177.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.38 83.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.397 . . . . 0.0 110.687 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB3' HD22 ' A' ' 49' ' ' LEU . 78.3 mt-30 -62.24 -51.56 67.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.655 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.53 86.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.26 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -45.64 83.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.193 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -62.45 -26.53 68.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.8 -50.72 67.87 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.2 mt -56.03 -32.46 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.528 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -68.98 -70.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.73 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -103.74 -41.28 5.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 m -127.46 124.99 39.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -164.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.417 ' HA ' ' CZ2' ' A' ' 79' ' ' TRP . 13.8 p -114.48 101.24 8.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.423 . . . . 0.0 109.895 175.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.6 125.17 0.38 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.185 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.0 tp -167.67 131.82 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.608 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 2.1 p30 -110.33 148.05 32.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 168.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.517 ' HA ' HD11 ' A' ' 40' ' ' ILE . 27.0 m -119.92 19.6 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.831 -171.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.68 -172.2 32.45 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.247 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.02 97.93 5.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.965 0.412 . . . . 0.0 110.705 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.22 3.15 56.73 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.698 -0.683 . . . . 0.0 113.02 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -131.74 140.98 49.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.228 0.537 . . . . 0.0 111.059 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 70' ' ' ASP . 35.9 p90 -137.94 170.27 16.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.784 -175.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.536 HD22 ' HG2' ' A' ' 36' ' ' GLU . 31.9 tp -136.6 112.22 9.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.588 177.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -132.06 139.74 48.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.021 0.438 . . . . 0.0 111.121 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.417 ' CZ2' ' HA ' ' A' ' 67' ' ' CYS . 18.3 p90 -135.85 146.81 47.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.691 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -140.25 151.2 44.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.857 0.36 . . . . 0.0 110.467 175.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.18 118.11 15.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.565 -174.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.499 174.689 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.86 ' N ' HE21 ' A' ' 9' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.611 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.11 -177.37 6.42 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.972 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -121.25 134.32 55.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.444 0.64 . . . . 0.0 110.826 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.594 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 9.4 m-85 -109.03 138.11 45.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.939 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.8 m -89.63 100.08 10.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 172.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.446 HG21 HD13 ' A' ' 29' ' ' LEU . 91.4 t -92.72 114.07 28.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.699 -174.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.8 mt -97.99 110.69 23.22 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.334 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 C--N 1.318 -0.795 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.506 178.503 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.8 p90 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -146.78 159.77 43.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.886 178.721 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.464 ' HB ' ' HG3' ' A' ' 9' ' ' GLN . 35.7 p -76.78 162.35 27.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.805 0.336 . . . . 0.0 111.621 -176.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 9' ' ' GLN . 5.4 m -50.82 -41.51 57.58 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.198 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.4 -43.73 97.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.749 0.309 . . . . 0.0 110.629 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.48 -43.15 98.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.491 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.446 HD13 HG21 ' A' ' 14' ' ' VAL . 65.4 tp -63.92 -39.06 93.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.758 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.498 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -58.4 -49.95 75.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.73 -33.17 70.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.746 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HG2' ' OE1' ' A' ' 36' ' ' GLU . 64.5 tttm -64.12 -52.5 58.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.908 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.7 mt -56.36 -44.49 80.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.243 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 8.3 mtmp? -55.51 -49.93 71.28 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.321 -178.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.28 -43.97 97.68 Favored Glycine 0 C--O 1.235 0.217 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 48.2 mt-10 -71.38 -33.03 69.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.743 0.306 . . . . 0.0 110.682 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.9 tp -72.55 -42.72 64.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.952 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.51 -20.71 62.01 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.454 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 19.7 pttp -89.9 3.59 52.55 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.981 0.42 . . . . 0.0 110.398 175.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mp -93.15 145.52 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.407 ' HB2' ' OD1' ' A' ' 44' ' ' ASP . 21.5 m -68.39 137.31 54.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.675 0.274 . . . . 0.0 110.341 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -57.98 -27.62 63.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.425 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 m -67.14 -27.54 67.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.224 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.407 ' OD1' ' HB2' ' A' ' 41' ' ' SER . 5.3 m-20 -86.96 -34.94 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.803 -174.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 pp -76.43 151.03 82.96 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.557 0.218 . . . . 0.0 111.166 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.586 ' HD2' HD12 ' A' ' 49' ' ' LEU . 93.0 Cg_exo -45.94 148.8 2.54 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.967 3.112 . . . . 0.0 114.22 -178.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.8 -38.23 87.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.529 -176.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -66.22 -30.21 70.62 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.632 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.586 HD12 ' HD2' ' A' ' 46' ' ' PRO . 36.9 mt -73.42 -28.23 61.87 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 176.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.39 -29.06 68.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.055 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -76.71 -32.74 58.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.568 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.65 109.42 9.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.604 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -76.2 -20.44 57.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.878 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -90.92 125.62 35.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.221 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.575 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 19.6 tp -63.9 -47.86 79.85 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.635 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 15.1 Cg_endo -56.31 -34.27 93.48 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.179 1.919 . . . . 0.0 112.319 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.47 92.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.706 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -64.8 -49.88 68.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.404 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.35 96.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.957 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.469 ' HG2' HD21 ' A' ' 30' ' ' LEU . 3.7 mm100 -60.77 -43.74 97.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 176.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -55.97 -46.4 78.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.182 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -55.22 -53.73 52.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.826 178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.588 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 80.7 mt -55.04 -39.7 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.706 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -84.43 -16.75 41.52 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -174.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.7 p -105.23 -63.87 1.19 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 m -154.47 159.78 41.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.879 0.371 . . . . 0.0 111.839 -172.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 78' ' ' GLN . 11.7 t -102.53 104.08 14.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.892 175.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -171.64 117.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.701 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.4 tp -166.76 135.34 2.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.881 0.372 . . . . 0.0 110.661 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -98.1 112.83 24.65 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 172.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.507 HG23 ' HB2' ' A' ' 75' ' ' LYS . 18.9 m -91.3 19.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.855 0.36 . . . . 0.0 111.715 -172.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 74.15 174.82 31.73 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.351 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.89 14.93 8.74 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.042 0.537 . . . . 0.0 111.665 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.39 18.37 66.69 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.085 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HB2' HG23 ' A' ' 71' ' ' VAL . 43.7 mtmt -108.76 143.8 37.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.022 0.439 . . . . 0.0 110.776 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -108.59 157.63 18.32 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.4 tp -129.4 118.26 21.9 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.467 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.452 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 90.6 mt-30 -113.52 130.77 56.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.644 171.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.588 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 24.8 p90 -137.99 122.31 18.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.208 0.528 . . . . 0.0 109.902 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -141.34 131.95 25.53 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.188 0.518 . . . . 0.0 110.329 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . . . -75.71 135.07 40.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.777 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.318 -0.793 0 CA-C-O 122.112 0.958 . . . . 0.0 109.594 177.844 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.521 ' HG2' HG22 ' A' ' 25' ' ' THR . 34.3 tt0 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.234 0.54 . . . . 0.0 109.869 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -112.24 176.99 4.79 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.539 -176.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -108.65 135.93 49.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.045 0.45 . . . . 0.0 110.891 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.11 134.45 53.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.959 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.9 t -87.75 107.33 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.541 HG21 HD13 ' A' ' 29' ' ' LEU . 43.4 t -100.89 104.24 15.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.073 0.463 . . . . 0.0 110.267 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.448 ' HB2' ' HE2' ' A' ' 80' ' ' TYR . 74.8 mt -93.13 102.24 14.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.043 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.9 p90 . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -140.58 163.16 33.6 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.05 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.521 HG22 ' HG2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -80.55 170.45 16.33 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.602 -173.565 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 m -51.65 -49.16 62.86 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -173.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 mm -67.11 -46.18 85.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.961 0.41 . . . . 0.0 111.297 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -63.05 -36.86 84.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.008 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.541 HD13 HG21 ' A' ' 14' ' ' VAL . 47.5 tp -66.51 -38.05 86.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.395 175.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -46.47 87.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.569 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 36.9 mt-10 -66.97 -35.49 80.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.587 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -67.15 -48.33 68.36 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.216 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 33' ' ' LEU . 29.3 mt -64.79 -39.07 93.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.624 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 14.1 ptmm? -66.18 -27.21 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.605 -178.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -75.08 -50.62 8.35 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.583 -0.817 . . . . 0.0 111.696 175.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.531 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -59.85 -39.76 86.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 177.691 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD22 HD11 ' A' ' 62' ' ' LEU . 58.3 tp -69.87 -41.32 74.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.444 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 15.7 pt-20 -71.89 -21.64 61.61 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.356 -175.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -88.43 -4.87 58.56 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.654 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.531 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -93.47 143.05 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 174.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.04 141.09 57.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.555 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 91.0 m-85 -63.39 -29.22 70.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.976 -178.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 p -71.31 -14.74 62.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.509 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.17 -39.31 10.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.449 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' A' ' 49' ' ' LEU . 4.0 pp -74.23 156.49 87.46 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.869 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.587 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 17.1 Cg_endo -58.41 149.55 73.71 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.034 2.489 . . . . 0.0 113.147 -177.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.52 -30.3 71.18 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.305 -173.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 52.6 mm-40 -60.04 -33.85 72.6 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.175 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.731 ' HB2' HD13 ' A' ' 45' ' ' LEU . 42.1 mt -70.33 -33.96 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.008 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.87 -27.31 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 110.506 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -80.24 -27.21 38.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.506 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 78.2 mt -77.02 123.53 26.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.189 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.27 -37.09 74.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.863 -174.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 28.2 m -100.37 137.9 38.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 -175.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.563 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -61.22 -47.6 93.98 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.472 176.382 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 7.4 Cg_endo -50.72 -39.75 56.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.008 1.806 . . . . 0.0 111.89 174.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -42.8 91.04 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.458 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.506 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 77.6 mt-30 -59.68 -55.52 33.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.212 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.525 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.3 -33.96 75.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.458 -176.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -64.56 -40.95 96.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.645 177.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -68.12 -29.59 68.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.667 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 49' ' ' LEU . 95.8 mt -61.78 -50.36 72.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.096 174.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.64 -38.74 79.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.756 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.87 -43.14 99.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.888 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.68 ' O ' ' HB2' ' A' ' 66' ' ' SER . 20.9 p -96.9 -81.53 0.42 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.68 ' HB2' ' O ' ' A' ' 65' ' ' THR . 1.9 t 149.91 169.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.281 1.432 . . . . 0.0 108.041 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.471 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 46.3 t -173.54 147.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.808 0.337 . . . . 0.0 110.489 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.82 117.08 31.33 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 172.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.3 tp -127.19 134.0 50.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.057 -170.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 3.4 p-10 -101.15 135.93 41.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 171.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.6 m -103.12 16.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.202 -173.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.63 145.21 16.14 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.768 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 75' ' ' LYS . . . 64.41 28.33 13.6 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.066 0.547 . . . . 0.0 111.65 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.2 0.2 90.06 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.115 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 73' ' ' ALA . 37.6 mtmm -83.69 128.52 34.59 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 70' ' ' ASP . 42.7 m-85 -107.99 147.98 30.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.251 0.548 . . . . 0.0 111.21 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.3 tp -118.24 124.93 49.07 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.797 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -137.51 130.23 30.05 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.471 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 29.0 p90 -108.12 128.99 55.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.211 0.529 . . . . 0.0 109.751 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.448 ' HE2' ' HB2' ' A' ' 15' ' ' LEU . 87.5 m-85 -102.35 110.44 22.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.651 -177.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.92 110.48 15.34 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 170.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.318 -0.777 0 CA-C-O 121.435 0.636 . . . . 0.0 110.568 -174.846 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.945 0.402 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -86.84 176.53 7.65 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -122.87 135.47 54.53 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.237 0.541 . . . . 0.0 110.413 -178.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 31.9 m-85 -125.21 136.0 53.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.104 -175.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -87.31 105.21 14.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.575 0.702 . . . . 0.0 109.999 177.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.466 HG21 HD12 ' A' ' 24' ' ' LEU . 72.0 t -88.0 133.18 31.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.141 -176.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.9 mt -119.39 107.2 13.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.505 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.13 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.0 p90 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.155 0.502 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.535 HD12 HD13 ' A' ' 29' ' ' LEU . 13.2 mt -113.31 149.06 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.824 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.18 175.15 9.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 170.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -54.69 -43.74 72.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -71.52 -46.94 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 110.862 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -57.36 -40.81 78.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.191 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.535 HD13 HD12 ' A' ' 24' ' ' LEU . 29.9 tp -72.85 -35.94 67.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.378 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 12.3 mt -55.64 -57.08 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.828 175.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.471 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 41.8 mt-10 -62.32 -30.42 71.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.354 -177.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -67.99 -48.5 65.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.901 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.87 -39.27 90.55 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.362 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 9.7 mtpm? -57.42 -44.48 84.64 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.498 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -73.76 -42.46 38.82 Favored Glycine 0 C--O 1.238 0.353 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.245 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -58.56 -43.89 89.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.881 -0.659 . . . . 0.0 109.938 177.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.2 tp -70.6 -42.23 71.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.894 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.0 pt-20 -69.01 -23.14 64.05 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.688 -174.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -92.89 2.08 56.96 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.245 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mp -86.15 145.57 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 170.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 m -59.3 128.17 35.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.843 0.354 . . . . 0.0 110.765 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -68.54 -16.96 64.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.985 0.422 . . . . 0.0 110.896 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -95.42 10.15 37.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.799 175.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -114.69 -33.33 5.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.693 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.0 pp -65.63 151.72 94.09 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.483 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.15 158.77 8.76 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.568 2.845 . . . . 0.0 113.546 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 50' ' ' GLN . 40.1 tp -66.9 -28.24 68.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.521 -176.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -51.41 -44.36 62.23 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.304 0.573 . . . . 0.0 110.633 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.693 ' HB2' HD13 ' A' ' 45' ' ' LEU . 37.4 mt -77.97 -21.07 51.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.425 -176.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' HB2' HD12 ' A' ' 47' ' ' LEU . 47.8 mt-30 -78.05 -25.05 47.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.011 178.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.69 -34.6 40.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.246 0.546 . . . . 0.0 109.835 175.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.0 mt -73.36 140.47 46.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.245 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -100.14 -27.98 13.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.038 -177.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -93.58 131.51 38.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.933 0.397 . . . . 0.0 111.041 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.502 ' HA ' HE21 ' A' ' 58' ' ' GLN . 52.8 tp -59.29 -45.62 99.14 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.502 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 31.4 Cg_exo -58.54 -40.17 76.56 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.817 1.678 . . . . 0.0 111.76 176.164 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.84 92.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.874 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.502 HE21 ' HA ' ' A' ' 55' ' ' LEU . 49.0 mt-30 -61.04 -49.94 75.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.559 177.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.25 94.73 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.147 0.499 . . . . 0.0 110.92 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.7 -41.11 98.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.394 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.539 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 71.8 t60 -67.06 -26.04 66.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.777 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 58' ' ' GLN . 96.7 mt -61.23 -62.57 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 173.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.6 mt -56.88 -35.19 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 110.397 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.539 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 23.2 t70 -60.16 -38.49 83.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.966 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.0 p -129.68 -66.22 0.81 Allowed 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -173.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.6 m -110.72 132.06 54.52 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -164.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.497 ' HA ' ' CZ2' ' A' ' 79' ' ' TRP . 43.8 t -101.64 102.25 12.91 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -172.55 118.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.445 -174.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.557 HD23 HD23 ' A' ' 77' ' ' LEU . 28.7 tp -166.37 110.69 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.194 0.521 . . . . 0.0 110.767 175.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -91.41 101.51 14.18 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.5 HG21 ' HE3' ' A' ' 75' ' ' LYS . 26.9 m -85.56 -1.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.847 -171.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.39 -161.56 54.19 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.357 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 60.95 12.0 3.65 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.776 0.43 . . . . 0.0 111.733 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.31 1.65 74.9 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.225 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HE3' HG21 ' A' ' 71' ' ' VAL . 53.3 pttt -119.92 158.8 25.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.212 0.506 . . . . 0.0 111.216 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -119.43 170.8 8.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.081 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.557 HD23 HD23 ' A' ' 69' ' ' LEU . 58.2 tp -135.8 119.46 17.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.762 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -127.07 138.45 53.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.797 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.497 ' CZ2' ' HA ' ' A' ' 67' ' ' CYS . 38.5 p90 -140.74 126.61 19.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.06 0.457 . . . . 0.0 110.577 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -140.93 150.65 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.999 0.428 . . . . 0.0 110.554 175.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . . . -84.5 142.86 29.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.438 -176.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.318 -0.776 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.521 172.6 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.83 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 75.2 mt-30 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.815 0.341 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.55 ' O ' ' HA ' ' A' ' 25' ' ' THR . 12.3 p-10 -87.43 171.42 10.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.797 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -106.74 140.62 39.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.327 0.584 . . . . 0.0 111.996 -171.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 81' ' ' ALA . 77.0 m-85 -122.24 136.94 54.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.652 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 79' ' ' TRP . 59.8 t -87.52 107.62 17.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -87.49 117.75 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.39 0.614 . . . . 0.0 110.998 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.2 mt -108.41 101.92 11.07 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.72 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 C--N 1.318 -0.773 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 171.025 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.5 p90 . . . . . 0 N--CA 1.451 -0.415 0 CA-C-O 121.253 0.549 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.02 166.84 11.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.512 -177.158 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.83 ' HB ' ' HB3' ' A' ' 9' ' ' GLN . 44.7 p -84.86 171.51 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -173.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.84 -51.24 30.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.923 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.562 HD13 ' HG2' ' A' ' 9' ' ' GLN . 1.5 mp -63.94 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.317 -176.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.75 -43.05 76.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.604 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.1 tp -64.2 -38.34 90.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.627 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.47 -51.91 67.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.496 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -67.36 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.031 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.86 -50.74 69.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.931 0.396 . . . . 0.0 110.161 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.19 -39.42 94.6 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.933 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -57.75 -43.79 85.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.179 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.86 -46.59 91.3 Favored Glycine 0 C--O 1.236 0.267 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.526 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.571 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 29.2 mm-40 -68.57 -32.61 72.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 tp -71.23 -38.72 71.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.795 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -74.66 -15.09 60.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.881 0.372 . . . . 0.0 110.129 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -82.96 -14.47 54.02 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.032 0.444 . . . . 0.0 110.245 173.328 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.502 HD12 ' HG2' ' A' ' 39' ' ' LYS . 1.4 mp -93.24 141.01 15.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.415 178.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.65 153.06 40.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.165 -179.098 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -68.09 -25.5 65.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.284 0.564 . . . . 0.0 110.952 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 p -86.35 0.86 53.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.138 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.37 -21.26 10.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.335 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -82.88 147.62 55.18 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.782 0.325 . . . . 0.0 111.119 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.514 ' HD2' HD12 ' A' ' 49' ' ' LEU . 52.7 Cg_exo -54.14 154.97 16.55 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.571 2.847 . . . . 0.0 113.45 -178.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.5 tp -61.63 -31.21 71.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.027 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -54.6 -41.12 69.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.309 0.576 . . . . 0.0 110.706 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.568 ' HB2' HD13 ' A' ' 45' ' ' LEU . 34.2 mt -75.26 -16.31 60.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.54 -176.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -83.69 -21.31 32.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.285 0.564 . . . . 0.0 110.145 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -82.11 -26.87 33.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.153 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 92.3 mt -87.41 106.79 18.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.503 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.42 -6.38 49.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.701 -174.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -112.95 124.28 52.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.599 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 34.4 tp -55.77 -49.37 93.21 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.945 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.6 Cg_endo -57.36 -37.5 97.4 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.931 1.754 . . . . 0.0 112.472 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.71 78.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.895 0.378 . . . . 0.0 110.793 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.552 ' HB3' HD22 ' A' ' 49' ' ' LEU . 78.9 mt-30 -60.58 -51.39 69.6 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.153 176.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -65.81 -33.17 75.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.113 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.5 tm0? -65.64 -43.29 89.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -55.94 -38.18 69.98 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.148 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.465 ' HB3' ' CZ2' ' A' ' 79' ' ' TRP . 93.7 mt -60.82 -58.88 6.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.035 175.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.449 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 90.8 mt -49.92 -41.45 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.303 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.37 -59.8 3.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 t -133.65 -22.18 1.92 Allowed 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -168.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.3 m -121.34 123.95 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.393 -0.817 . . . . 0.0 111.462 -172.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 61.8 m -126.63 101.92 6.86 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.481 -176.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -173.97 138.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.766 173.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.7 tp -159.6 111.22 2.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.905 0.383 . . . . 0.0 110.975 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -79.05 104.66 9.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.411 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.558 HG23 ' HE3' ' A' ' 75' ' ' LYS . 15.8 m -100.64 19.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.513 -174.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.574 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 115.49 140.42 7.07 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.525 172.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 62.42 16.56 8.72 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.15 5.39 73.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.802 -0.714 . . . . 0.0 113.249 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 51.4 pttt -91.42 143.84 26.2 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.463 176.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -116.24 133.7 55.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.016 -175.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.427 HD22 ' HG3' ' A' ' 36' ' ' GLU . 34.3 tp -87.54 112.63 22.45 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 173.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -115.47 157.68 23.64 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.463 -173.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.465 ' CZ2' ' HB3' ' A' ' 62' ' ' LEU . 29.0 p90 -160.46 147.62 15.88 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.684 0.278 . . . . 0.0 110.53 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -140.99 147.45 38.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.961 170.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.444 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -86.93 114.02 23.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.061 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.476 0.655 . . . . 0.0 109.908 175.089 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.573 0.225 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.47 155.28 39.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.711 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -106.9 123.71 48.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.102 0.477 . . . . 0.0 110.36 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -113.55 134.05 54.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.92 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.532 HG22 ' HB3' ' A' ' 23' ' ' PHE . 80.9 t -88.64 107.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.1 t -92.36 115.39 31.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.939 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.7 mt -91.05 105.4 17.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.246 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.975 -178.893 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.532 ' HB3' HG22 ' A' ' 13' ' ' VAL . 15.8 p90 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.973 0.416 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -115.14 165.24 13.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.176 -178.747 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.1 p -82.7 170.47 15.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.684 0.278 . . . . 0.0 111.306 -175.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 m -52.04 -42.7 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.664 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 47.0 mm -64.45 -44.33 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.189 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 4.6 mm-40 -66.45 -38.17 86.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.277 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.83 -41.75 99.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.205 176.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 31.7 mt -53.86 -50.61 65.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.991 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.36 -39.39 94.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.271 -176.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -63.22 -48.98 75.99 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.878 176.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.33 -47.68 84.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.761 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -59.74 -42.42 93.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.632 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.69 -51.11 59.71 Favored Glycine 0 C--O 1.237 0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.561 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -68.48 -35.59 77.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.905 0.383 . . . . 0.0 110.237 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -67.08 -39.4 86.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.516 -177.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.46 -28.53 62.99 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.022 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.89 3.07 49.84 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.871 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.519 HG22 HD23 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -93.71 144.34 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 172.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.447 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 27.4 t -63.78 147.59 51.36 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.02 -21.74 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.548 -174.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.9 p -95.94 -6.03 40.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.155 0.502 . . . . 0.0 110.763 176.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.447 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 33.9 t70 -91.42 -25.05 19.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.143 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -88.7 151.39 47.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.75 177.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.524 ' HD2' HD12 ' A' ' 49' ' ' LEU . 52.0 Cg_exo -55.62 155.67 20.82 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.418 2.745 . . . . 0.0 113.597 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 56.6 tp -60.07 -30.26 69.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.194 -177.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -52.67 -45.49 66.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.43 0.633 . . . . 0.0 110.504 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.756 ' HB2' HD13 ' A' ' 45' ' ' LEU . 21.3 mt -80.85 -14.06 58.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.047 -175.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -80.76 -27.58 36.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.853 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 35.7 mmtp -78.41 -35.76 46.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.912 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 58' ' ' GLN . 76.1 mt -77.84 112.68 14.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.064 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.67 -43.31 94.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.417 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -96.1 126.17 41.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.535 -170.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.558 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 49.3 tp -52.18 -47.27 92.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.442 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.8 Cg_endo -53.53 -35.61 77.26 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 122.314 2.01 . . . . 0.0 112.611 176.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.76 -36.15 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.491 ' HB3' HD22 ' A' ' 49' ' ' LEU . 78.0 mt-30 -58.14 -54.8 42.83 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.624 178.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -66.5 -28.85 68.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.082 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.29 -40.48 81.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.29 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 31.2 t60 -68.67 -26.87 65.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.46 178.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.423 HD22 ' CB ' ' A' ' 67' ' ' CYS . 72.9 mt -60.15 -53.54 56.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 174.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.35 -33.67 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.236 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 12.3 t70 -55.76 -47.51 76.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.181 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.4 p -106.93 -76.54 0.61 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.416 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.9 p 162.37 163.23 0.02 OUTLIER 'General case' 0 C--O 1.232 0.182 0 C-N-CA 124.009 0.923 . . . . 0.0 108.947 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.498 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 45.9 t -171.26 144.07 1.97 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.933 0.396 . . . . 0.0 110.794 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -104.74 116.37 31.92 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.2 tp -125.49 124.25 40.95 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.726 -0.389 . . . . 0.0 111.691 -169.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.87 119.67 26.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 168.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.486 HG23 ' HG3' ' A' ' 75' ' ' LYS . 15.8 m -105.98 10.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -176.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 66.56 -166.8 38.28 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.987 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.05 17.32 10.04 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.985 0.514 . . . . 0.0 111.363 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.58 25.83 75.07 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.339 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 24.4 pttm -131.5 151.79 51.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.778 0.323 . . . . 0.0 110.486 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -110.57 159.58 17.42 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.4 tp -132.91 112.21 11.7 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.94 149.14 45.92 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.498 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 33.4 p90 -129.97 138.31 50.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.429 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -138.17 137.71 37.89 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 172.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.04 131.09 38.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.277 -175.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.507 0.67 . . . . 0.0 110.404 175.767 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -73.33 129.82 14.38 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.344 2.029 . . . . 0.0 112.096 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -87.85 155.82 52.8 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 172.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' HB2' HD23 ' A' ' 5' ' ' LEU . 4.7 Cg_endo -47.7 -71.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.761 2.307 . . . . 0.0 112.361 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 4' ' ' PRO . 2.6 pt? -178.38 179.06 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 71.0 mtm -89.78 -37.68 14.34 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.135 0.493 . . . . 0.0 110.122 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -85.65 47.16 1.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.208 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' HG2' HD23 ' A' ' 5' ' ' LEU . 76.9 mt-30 -62.18 -37.07 83.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.537 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.562 ' HA ' ' OG1' ' A' ' 26' ' ' THR . 75.1 mt-30 -92.85 103.88 16.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.077 -177.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.48 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.5 t70 -113.38 -160.06 0.71 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -105.98 116.2 31.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.245 0.545 . . . . 0.0 110.145 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' A' ' 81' ' ' ALA . 30.4 m-85 -104.44 127.2 52.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.687 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -86.59 100.12 9.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' A' ' 24' ' ' LEU . 86.0 t -94.07 123.62 46.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.827 -175.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.552 HD23 ' H ' ' A' ' 21' ' ' GLU . 67.0 mt -101.28 102.27 13.11 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.108 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.573 ' HB3' ' H ' ' A' ' 19' ' ' GLN . 2.8 tm-20 -94.64 151.24 19.46 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 176.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.507 ' OG1' ' HB2' ' A' ' 75' ' ' LYS . 15.5 m -64.38 -23.14 67.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.137 0.494 . . . . 0.0 110.756 -178.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -99.42 -45.88 5.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.748 176.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.573 ' H ' ' HB3' ' A' ' 16' ' ' GLU . 10.1 mm100 -118.83 91.11 42.07 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-O 121.135 0.493 . . . . 0.0 112.111 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -83.87 159.58 13.94 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 123.653 2.902 . . . . 0.0 112.296 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.552 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER 56.56 74.72 0.39 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.897 175.512 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -134.64 138.16 44.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.913 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -101.07 114.48 28.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.105 0.479 . . . . 0.0 111.183 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.531 HD21 ' HB ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -140.87 157.66 45.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.483 176.814 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 42.4 p -81.42 172.85 13.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.698 -176.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.562 ' OG1' ' HA ' ' A' ' 9' ' ' GLN . 2.0 m -54.88 -38.55 67.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.852 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.24 -40.73 78.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 0.0 110.747 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 36.9 mt-10 -66.35 -39.65 89.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.141 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.53 -44.15 95.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.216 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -54.97 -49.33 71.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.587 177.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.19 -39.77 76.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.99 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -68.2 -46.11 71.52 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.432 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.04 -52.46 62.72 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.862 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 9.8 ptmm? -60.61 -24.08 65.22 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.914 -0.491 . . . . 0.0 111.489 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -75.45 -49.09 9.59 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.29 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.481 ' OE1' HG12 ' A' ' 71' ' ' VAL . 2.7 pp20? -72.5 -36.01 68.28 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.04 -0.682 . . . . 0.0 110.445 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 tp -65.64 -36.31 83.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 9.6 pt-20 -69.3 -29.61 67.51 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.254 -0.579 . . . . 0.0 109.787 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 67.0 mttm -71.6 -40.48 69.83 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.524 173.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 71' ' ' VAL . 1.4 mp -59.16 134.96 24.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.146 175.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.6 t -58.09 135.48 57.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 50' ' ' GLN . 32.1 t80 -68.4 -17.7 64.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.916 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.9 m -94.74 5.75 50.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.357 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -115.63 -26.43 7.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.031 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.4 pp -78.54 160.9 71.48 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.475 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD2' HD12 ' A' ' 49' ' ' LEU . 72.3 Cg_exo -51.8 156.68 6.48 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.674 2.916 . . . . 0.0 113.84 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -70.17 -30.8 68.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.884 -174.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.28 -36.09 72.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.069 0.461 . . . . 0.0 110.394 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.714 ' HB2' HD13 ' A' ' 45' ' ' LEU . 37.6 mt -74.68 -23.24 58.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.293 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 52.3 mt-30 -80.13 -19.19 47.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.812 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -82.31 -30.25 30.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.231 0.538 . . . . 0.0 109.99 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.2 mt -76.3 143.51 40.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.933 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -105.82 -25.36 12.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.914 0.388 . . . . 0.0 110.537 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.6 m -90.93 136.17 33.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.977 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.558 ' HA ' HE21 ' A' ' 58' ' ' GLN . 62.1 tp -63.53 -50.72 71.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.29 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 12.4 Cg_endo -57.06 -34.66 98.11 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.015 1.81 . . . . 0.0 112.366 177.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.59 92.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.558 HE21 ' HA ' ' A' ' 55' ' ' LEU . 50.4 mt-30 -60.59 -55.96 27.03 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.617 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.68 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.012 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -63.53 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.672 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.574 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 65.4 t60 -71.82 -28.54 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.615 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 87.3 mt -61.78 -49.87 74.64 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.22 0.533 . . . . 0.0 110.03 173.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.56 -34.77 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.245 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.574 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 11.6 t70 -58.92 -58.71 7.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.19 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.8 t -162.34 77.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.916 0.865 . . . . 0.0 111.405 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.55 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 70.7 m -151.48 177.54 10.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.644 172.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.03 -148.19 0.39 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.48 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -95.46 164.43 12.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.714 0.292 . . . . 0.0 110.393 -175.461 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.04 162.17 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.07 0.462 . . . . 0.0 111.023 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.56 122.37 35.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.838 177.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.481 HG12 ' OE1' ' A' ' 36' ' ' GLU . 30.8 m -86.22 -3.07 8.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.405 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.71 177.83 29.58 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.497 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.28 13.49 8.0 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.008 0.523 . . . . 0.0 111.654 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.05 -18.79 56.05 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HB2' ' OG1' ' A' ' 17' ' ' THR . 46.3 pttt -93.97 173.33 7.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.992 0.425 . . . . 0.0 110.683 -178.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -141.37 170.98 14.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -173.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 56.7 tp -135.82 118.62 16.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.312 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.55 ' HG3' ' HB2' ' A' ' 15' ' ' LEU . 10.3 pt20 -129.6 149.57 51.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.305 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -147.29 146.19 29.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.385 -176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -140.55 143.77 35.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.895 0.379 . . . . 0.0 109.987 174.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB1' ' HD3' ' A' ' 83' ' ' ARG . . . -98.58 129.7 45.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -178.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.1 m -89.06 103.84 14.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.32 0.581 . . . . 0.0 109.901 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.544 ' HD3' ' HB1' ' A' ' 81' ' ' ALA . 31.6 mmm-85 -124.19 145.35 49.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.147 -175.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.425 ' HB3' ' HG2' ' A' ' 86' ' ' LYS . 90.4 mt 57.94 88.56 0.06 Allowed 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.786 0.679 . . . . 0.0 111.694 177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 89' ' ' HIS . 7.1 tp10 -82.09 67.39 8.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.646 0.736 . . . . 0.0 109.048 175.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' HG2' ' HB3' ' A' ' 84' ' ' LEU . 14.4 mmmm -77.96 -13.1 60.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.091 -174.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.9 tp -91.01 111.15 22.49 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 75.88 -23.57 0.24 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.915 0.759 . . . . 0.0 111.56 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.412 ' HA ' ' O ' ' A' ' 85' ' ' GLU . 28.5 m-70 62.96 69.34 0.59 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.476 0.655 . . . . 0.0 109.972 -174.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -97.38 127.14 43.08 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.14 -175.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -86.68 172.01 10.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.44 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -69.56 146.83 51.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.02 0.438 . . . . 0.0 111.321 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -58.81 -54.67 44.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.167 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 . . . . . 0 C--O 1.246 0.88 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.752 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.94 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 25.5 ttt . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 119.49 -0.29 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.94 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 6.0 Cg_exo -79.42 -69.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 121.824 1.683 . . . . 0.0 110.987 175.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -130.0 157.18 77.71 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -63.12 -164.84 0.05 OUTLIER 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.077 2.518 . . . . 0.0 112.97 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -50.07 143.94 7.51 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.323 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 6' ' ' MET . 9.2 mmt -65.42 -28.55 69.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.841 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -88.95 44.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.626 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -82.25 55.9 3.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.667 0.746 . . . . 0.0 111.07 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -142.77 100.26 3.63 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.942 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -97.27 -167.04 1.47 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.251 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -113.9 123.31 49.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.137 0.494 . . . . 0.0 111.91 -170.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -120.6 140.33 51.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.619 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.424 HG22 ' CD1' ' A' ' 23' ' ' PHE . 84.9 t -102.33 107.54 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.521 HG21 HD21 ' A' ' 24' ' ' LEU . 81.6 t -94.47 127.89 46.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.297 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.3 mt -118.65 102.63 9.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.392 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -106.65 163.38 12.95 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.0 m -69.7 -24.16 63.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.293 0.568 . . . . 0.0 110.099 175.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -84.46 -48.98 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.944 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.23 107.62 9.5 Favored Pre-proline 0 C--O 1.234 0.275 0 CA-C-O 120.699 0.285 . . . . 0.0 110.904 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -85.8 169.07 9.32 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 123.207 2.605 . . . . 0.0 112.278 174.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 56.34 41.39 29.11 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.386 176.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' HG3' HD23 ' A' ' 24' ' ' LEU . 5.8 tp-100 -91.55 102.98 15.63 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 176.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' CD1' HG22 ' A' ' 13' ' ' VAL . 67.9 m-85 -92.64 101.77 14.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.552 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 1.7 pp -125.4 178.07 5.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.842 0.353 . . . . 0.0 111.522 -176.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.2 p -96.05 173.45 7.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.58 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 m -52.51 -43.27 64.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.799 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -66.96 -38.46 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.149 -176.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 40.8 mt-10 -71.96 -35.03 69.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.011 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 79' ' ' TRP . 57.1 tp -63.26 -39.94 96.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.086 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.8 mt -54.86 -51.46 65.86 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.773 175.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -56.15 -42.19 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.151 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -62.59 -55.11 30.25 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.726 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.451 HD22 HD13 ' A' ' 62' ' ' LEU . 45.1 mt -57.35 -44.58 84.42 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -56.38 -51.45 68.27 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -66.2 -46.77 77.23 Favored Glycine 0 C--O 1.24 0.525 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.572 ' O ' HD13 ' A' ' 40' ' ' ILE . 5.3 mm-40 -69.96 -18.93 63.37 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 122.718 -0.284 . . . . 0.0 110.934 -178.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.2 tp -86.37 -42.75 13.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.84 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.4 pt-20 -64.84 -24.44 67.54 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.409 -177.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -81.3 -8.88 59.82 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.41 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -92.01 146.76 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 m -64.8 130.71 44.52 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 110.634 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -69.5 -10.93 60.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.459 -175.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 p -88.82 -13.91 38.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.74 -36.97 9.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.082 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.854 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.9 pp -60.82 155.23 53.79 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.614 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 11.3 Cg_endo -54.88 151.08 34.6 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.216 2.611 . . . . 0.0 113.624 -175.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.05 -29.82 63.75 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.088 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 15.7 mm-40 -48.92 -51.11 31.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.178 0.513 . . . . 0.0 110.707 173.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.854 ' HB2' HD13 ' A' ' 45' ' ' LEU . 28.5 mt -73.51 -26.24 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.585 -175.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -70.95 -36.55 72.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 48' ' ' GLU . 41.7 mtmt -74.74 -28.75 60.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.906 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.436 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 84.2 mt -70.61 126.73 30.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.197 0.522 . . . . 0.0 110.487 176.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -82.49 -18.89 40.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.74 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.8 m -118.67 136.07 54.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.816 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 46.3 tp -59.18 -48.72 95.82 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.785 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.0 Cg_endo -55.45 -36.58 94.41 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.071 1.848 . . . . 0.0 112.264 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.73 84.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.773 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.524 ' HB3' HD22 ' A' ' 49' ' ' LEU . 79.4 mt-30 -60.8 -51.05 70.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.284 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -65.29 -35.02 79.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.004 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.65 -37.66 82.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 37.0 t60 -71.02 -26.85 63.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 110.451 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 59' ' ' ALA . 68.5 mt -59.58 -54.92 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 173.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.2 -37.43 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.419 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 9.8 t70 -51.9 -48.53 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.645 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.8 p -105.5 -72.6 0.71 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.719 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.3 m 144.11 126.59 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.236 1.814 . . . . 0.0 108.794 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.51 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 42.0 t -155.13 123.5 5.96 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -93.17 129.1 39.3 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.201 0.524 . . . . 0.0 109.862 -169.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.9 tp -116.97 127.25 54.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.711 -163.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -81.71 115.87 21.16 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 169.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.586 HG23 ' HG3' ' A' ' 75' ' ' LYS . 11.3 m -107.47 27.89 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -170.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.58 170.35 43.9 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.819 174.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.95 5.6 2.44 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.001 0.52 . . . . 0.0 111.822 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.77 5.12 88.38 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.449 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.586 ' HG3' HG23 ' A' ' 71' ' ' VAL . 42.7 pttt -97.27 140.8 31.2 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -107.04 138.87 42.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.114 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.402 HD23 HD23 ' A' ' 33' ' ' LEU . 38.4 tp -93.67 112.55 24.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.776 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -125.28 139.21 53.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.423 -176.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.425 ' CD1' HD21 ' A' ' 29' ' ' LEU . 15.2 p90 -144.62 139.64 28.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.823 0.344 . . . . 0.0 110.184 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -116.88 135.57 53.63 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.03 111.41 19.27 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.4 m -132.55 110.03 15.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.258 0.552 . . . . 0.0 109.692 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -130.33 156.23 45.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.7 -171.722 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.5 tp 62.21 90.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.132 177.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' OE2' ' HG3' ' A' ' 86' ' ' LYS . 10.9 tp10 -126.27 158.99 34.32 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 173.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HG3' ' OE2' ' A' ' 85' ' ' GLU . 32.9 mttp -62.8 103.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.054 0.454 . . . . 0.0 111.117 -175.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.5 tp -126.56 84.22 2.24 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.299 0.571 . . . . 0.0 110.07 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -117.3 110.09 17.65 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.149 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -92.12 108.54 20.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.623 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -88.48 -158.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.482 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.5 m80 67.99 13.54 9.16 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 122.662 0.385 . . . . 0.0 111.864 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -71.36 -44.66 64.61 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -137.78 -37.91 0.59 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.669 -1.15 . . . . 0.0 107.969 166.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.2 p80 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.07 172.487 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.577 ' HB2' ' HD2' ' A' ' 2' ' ' PRO . 26.8 ptt? . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.577 ' HD2' ' HB2' ' A' ' 1' ' ' MET . 86.4 Cg_exo -45.65 122.11 4.64 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.558 2.172 . . . . 0.0 111.586 175.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 9.7 p-10 -55.58 123.36 50.52 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.338 -171.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.514 ' HD2' HD23 ' A' ' 5' ' ' LEU . 5.2 Cg_exo -79.83 -11.33 13.92 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 123.157 2.572 . . . . 0.0 111.903 175.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 7' ' ' TYR . 2.5 pt? -152.55 142.8 22.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.18 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.0 ttp -81.68 31.71 0.36 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.877 0.846 . . . . 0.0 109.916 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.574 ' HB3' HD12 ' A' ' 5' ' ' LEU . 23.0 t80 -119.99 -4.25 10.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.26 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -151.26 97.81 2.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.289 -178.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -114.23 162.25 16.8 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.469 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -75.14 -178.37 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.54 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -124.12 122.81 38.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.132 0.492 . . . . 0.0 110.779 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 76.9 m-85 -100.92 144.38 29.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.092 -177.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.77 101.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.796 0.807 . . . . 0.0 108.826 171.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 93.4 t -86.65 125.38 40.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.92 -175.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.2 mt -100.69 110.26 22.36 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 174.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.464 ' HG3' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -140.25 -174.69 4.01 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -174.759 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 75' ' ' LYS . 37.6 m -87.44 -36.36 17.75 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.357 0.598 . . . . 0.0 109.865 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -123.5 92.38 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.884 174.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -120.13 101.96 46.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -177.199 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.15 136.6 18.32 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.856 2.371 . . . . 0.0 113.802 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.892 ' HG3' ' HG2' ' A' ' 22' ' ' GLN . 9.3 tp10 76.12 -100.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.774 175.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.892 ' HG2' ' HG3' ' A' ' 21' ' ' GLU . 9.3 pt20 -160.83 -65.85 0.06 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -173.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.458 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 99.1 m-85 -133.75 149.65 51.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.606 0.241 . . . . 0.0 110.92 -173.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -138.65 143.25 39.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.4 p -81.07 176.47 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.326 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 m -54.21 -40.47 67.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.582 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.0 -44.14 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 33.6 mt-10 -70.2 -36.78 74.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.541 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 tp -63.62 -37.97 89.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.344 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.6 mt -54.94 -54.45 42.59 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.609 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.51 -35.24 77.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -65.3 -51.97 57.19 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.055 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.65 -50.4 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.737 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HB3' HD21 ' A' ' 55' ' ' LEU . 49.7 mtpt -52.1 -52.96 48.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.259 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.64 -46.72 93.14 Favored Glycine 0 C--O 1.241 0.538 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.745 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.481 ' O ' HG13 ' A' ' 40' ' ' ILE . 44.5 mt-10 -75.22 -19.21 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.746 0.308 . . . . 0.0 110.718 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.08 -31.89 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.237 174.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -59.81 -38.46 82.04 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.189 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -78.91 -0.23 30.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.458 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 36' ' ' GLU . 65.5 mt -94.09 139.96 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.982 0.42 . . . . 0.0 110.572 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.407 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 46.6 t -73.4 148.14 43.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.475 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -66.45 -22.4 66.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.862 0.363 . . . . 0.0 110.434 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.1 t -88.08 3.57 48.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.112 0.482 . . . . 0.0 110.227 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -115.29 -30.65 6.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.411 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.3 pp -85.85 154.21 58.2 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.514 ' HD2' HD12 ' A' ' 49' ' ' LEU . 61.7 Cg_exo -53.52 153.15 18.94 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.467 2.778 . . . . 0.0 113.752 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.42 -28.7 69.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.555 -176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.786 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 63.2 mm-40 -58.9 -42.35 89.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.277 0.56 . . . . 0.0 110.382 177.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.689 ' HB2' HD13 ' A' ' 45' ' ' LEU . 64.7 mt -72.96 -21.81 60.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.458 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.83 -32.24 63.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.786 ' HE2' ' HA ' ' A' ' 48' ' ' GLU . 43.8 mtmt -76.4 -25.08 54.16 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.944 0.402 . . . . 0.0 110.651 175.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.479 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 75.6 mt -79.18 106.88 11.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.268 0.556 . . . . 0.0 109.959 173.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.17 -29.11 70.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.839 -169.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -117.76 143.61 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.243 -173.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 10.6 tp -54.77 -51.5 78.4 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.588 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.0 Cg_endo -52.53 -39.98 73.41 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.224 1.949 . . . . 0.0 112.351 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.05 88.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.723 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.504 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 77.1 mt-30 -62.13 -56.27 20.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.616 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -63.18 -38.54 91.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.569 -177.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.68 -37.79 87.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.606 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 69.1 t60 -73.95 -26.01 60.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.542 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 58' ' ' GLN . 98.4 mt -59.86 -45.93 90.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 172.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.63 -25.39 34.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.966 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.606 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 42.2 m-20 -61.0 -45.51 94.51 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.086 0.47 . . . . 0.0 110.002 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 p -105.39 -82.17 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.81 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.8 m 144.87 138.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.103 1.761 . . . . 0.0 108.644 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 75.8 m -149.66 152.91 36.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.736 0.303 . . . . 0.0 110.476 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -96.25 117.03 29.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.5 tp -118.32 123.54 45.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.839 -169.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.55 108.04 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.637 HG23 ' HB2' ' A' ' 75' ' ' LYS . 2.5 m -102.64 21.75 2.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -171.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.29 149.89 25.97 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.582 -0.818 . . . . 0.0 113.274 171.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.64 11.8 7.03 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.289 0.636 . . . . 0.0 112.172 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.08 12.49 63.47 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.667 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.637 ' HB2' HG23 ' A' ' 71' ' ' VAL . 16.5 mtmt -79.06 134.54 36.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -113.68 122.22 46.49 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD13 ' HG3' ' A' ' 16' ' ' GLU . 56.6 tp -104.53 117.44 34.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.402 -175.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -137.4 146.9 44.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.599 171.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 33.1 p90 -133.5 136.47 45.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.917 0.389 . . . . 0.0 110.527 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -140.96 146.3 37.16 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . . . -96.4 132.49 41.87 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.054 0.454 . . . . 0.0 111.241 -175.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -84.15 103.1 11.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 172.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 83' ' ' ARG . 30.9 mtp-105 -124.97 166.19 16.77 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.637 -167.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.4 mt -78.09 -159.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.189 170.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.64 ' O ' ' HA ' ' A' ' 89' ' ' HIS . 43.9 mt-10 64.37 24.2 13.18 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.1 0.476 . . . . 0.0 109.763 -174.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -75.39 -47.73 26.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.87 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.524 ' O ' HD12 ' A' ' 87' ' ' LEU . 3.4 pp -76.25 130.34 38.03 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 56.19 52.44 10.28 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -174.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.64 ' HA ' ' O ' ' A' ' 85' ' ' GLU . 78.7 t60 -51.39 99.68 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.714 -1.13 . . . . 0.0 112.629 -169.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 8.27 91.35 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.025 1.73 . . . . 0.0 114.211 175.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -156.58 116.26 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.48 0.657 . . . . 0.0 111.928 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -110.97 -39.01 4.93 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 166.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 64.58 97.32 0.04 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.743 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.7 t60 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.265 173.957 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -64.36 -35.38 50.67 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.908 2.405 . . . . 0.0 111.881 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -92.4 105.22 13.37 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.1 -25.76 5.73 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.564 2.176 . . . . 0.0 113.75 -172.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.62 HD12 ' HD2' ' A' ' 7' ' ' TYR . 34.1 tp -117.44 98.52 6.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.165 0.507 . . . . 0.0 111.236 -174.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -119.8 6.94 10.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.63 174.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.62 ' HD2' HD12 ' A' ' 5' ' ' LEU . 6.2 m-85 -89.56 -70.41 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.138 -174.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -150.81 119.31 6.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.577 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.579 ' HA ' HD21 ' A' ' 5' ' ' LEU . 1.8 mp0 -83.54 170.29 14.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.463 -176.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.64 148.21 51.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.955 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -105.63 137.38 43.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.483 . . . . 0.0 110.638 -175.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.58 140.59 44.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.998 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.6 t -86.29 114.78 26.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.005 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.578 HG13 HD11 ' A' ' 77' ' ' LEU . 88.8 t -104.42 105.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.19 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.5 mt -107.3 112.17 24.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.015 -176.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' H ' ' HB3' ' A' ' 20' ' ' PRO . 48.5 mt-10 -104.63 159.46 15.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.927 174.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.8 m -60.87 -40.49 93.17 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -100.23 -61.94 1.3 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -172.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -133.17 97.92 16.06 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 120.722 0.296 . . . . 0.0 110.223 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.495 ' HB3' ' H ' ' A' ' 16' ' ' GLU . 97.3 Cg_endo -85.75 149.51 9.84 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.745 2.297 . . . . 0.0 112.497 175.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -97.32 18.06 15.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 63.34 -86.15 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.876 -177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -145.73 139.23 26.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.029 0.443 . . . . 0.0 110.871 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -134.91 174.6 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.276 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.531 HG22 ' HB2' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -80.95 163.86 23.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -176.533 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 m -52.48 -40.62 62.54 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.9 0.48 . . . . 0.0 112.255 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.96 -44.5 81.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.207 -174.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.42 -37.85 84.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.69 0.281 . . . . 0.0 110.543 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.22 -38.94 89.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.109 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -61.85 -48.41 80.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.083 178.806 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.575 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 41.4 mt-10 -68.01 -32.8 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.017 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -66.48 -53.0 40.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.213 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.22 -27.96 68.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.494 -177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 54.8 mtmt -62.13 -38.99 91.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.702 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.536 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -73.92 -44.08 31.94 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.136 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.533 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -57.34 -32.36 66.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.176 -0.512 . . . . 0.0 110.826 175.637 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 tp -84.68 -41.17 16.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.822 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.536 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.3 pt-20 -67.63 -23.78 65.39 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.418 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 59.4 pttt -83.87 2.46 38.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.376 0.608 . . . . 0.0 110.435 177.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.6 mp -108.99 143.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.265 174.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.5 t -59.45 133.58 56.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.721 0.296 . . . . 0.0 110.769 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.434 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . 93.2 m-85 -71.9 -9.8 58.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -93.96 -13.76 26.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.211 0.529 . . . . 0.0 109.738 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -99.69 -36.01 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.348 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.6 pp -63.28 160.45 40.81 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.14 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.547 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 87.5 Cg_exo -44.42 141.71 5.02 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.604 2.869 . . . . 0.0 113.684 -177.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.527 HD12 ' HE3' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -53.82 -40.79 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.026 -176.819 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.58 -32.54 70.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.353 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.791 ' HB2' HD13 ' A' ' 45' ' ' LEU . 25.4 mt -78.19 -20.36 52.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.274 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -76.66 -29.65 56.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.862 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.527 ' HE3' HD12 ' A' ' 47' ' ' LEU . 99.5 mttt -76.39 -34.24 58.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.427 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.7 mt -77.81 138.99 39.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -99.38 -29.81 12.56 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.272 -174.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 46.9 m -96.12 130.21 43.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.379 -176.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.56 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 6.6 mp -49.21 -48.39 73.9 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.654 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.0 Cg_endo -54.78 -28.36 57.13 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.284 1.99 . . . . 0.0 113.04 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.33 -40.96 22.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.379 0.609 . . . . 0.0 109.833 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 54' ' ' SER . 57.4 mt-30 -64.4 -47.97 77.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.489 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.48 76.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.453 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 13.3 tm0? -64.35 -42.76 96.06 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -53.42 -44.16 68.54 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.532 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.628 HD21 HD11 ' A' ' 49' ' ' LEU . 78.3 mt -55.99 -55.04 37.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.354 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.401 HD12 ' HG ' ' A' ' 30' ' ' LEU . 90.5 mt -59.61 -45.54 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.994 -176.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.12 -30.85 71.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.918 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 p -109.63 -81.88 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.609 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m 145.56 135.94 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.265 1.826 . . . . 0.0 108.188 -171.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 74.1 m -151.73 167.98 26.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -96.46 137.8 35.0 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 tp -151.36 113.21 4.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.672 0.272 . . . . 0.0 111.34 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -75.38 120.69 21.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 75' ' ' LYS . 29.2 m -102.84 20.22 3.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -170.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.538 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 92.27 156.54 32.85 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.592 171.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 67.31 -4.55 0.85 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.531 0.732 . . . . 0.0 112.284 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.07 7.97 67.38 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.049 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HG3' HG23 ' A' ' 71' ' ' VAL . 62.6 pttt -87.45 156.43 19.57 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -106.12 156.12 18.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.781 0.324 . . . . 0.0 110.807 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 14' ' ' VAL . 41.1 tp -147.57 125.84 12.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.217 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.15 152.65 40.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 172.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 23.1 p90 -128.77 140.76 51.57 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.868 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -140.47 144.92 36.32 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.58 120.16 27.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.123 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 m -88.12 102.81 13.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.707 0.765 . . . . 0.0 110.26 176.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -134.58 132.03 38.58 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.192 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 tt -130.17 96.82 4.27 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 13.1 mm-40 -69.63 -23.8 63.55 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.455 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 52.1 pttt 61.97 163.5 0.09 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.933 1.293 . . . . 0.0 112.959 176.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.6 tp 73.03 -59.24 0.57 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.708 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -75.79 148.19 38.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 -175.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -132.23 -19.01 2.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.209 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -75.1 87.98 2.42 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.225 0.536 . . . . 0.0 110.317 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -67.24 125.81 27.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.843 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -144.99 32.05 1.13 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.302 0.573 . . . . 0.0 110.638 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -166.11 -54.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.244 0.767 0 CA-C-N 114.977 -1.011 . . . . 0.0 108.579 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.95 157.82 53.93 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.477 2.118 . . . . 0.0 110.885 174.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.5 114.29 9.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -79.89 -10.96 13.99 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.054 2.503 . . . . 0.0 112.287 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 tp -87.05 57.36 4.46 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.517 0.675 . . . . 0.0 111.307 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.8 ptm -80.96 -8.2 59.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.549 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -87.8 -10.22 51.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.498 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.528 ' HG2' ' HG3' ' A' ' 9' ' ' GLN . 55.9 tt0 66.62 -73.54 0.07 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.278 -178.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.562 ' HB3' HG22 ' A' ' 25' ' ' THR . 78.1 mt-30 -148.14 104.6 3.56 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -177.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -79.93 156.51 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -106.44 131.77 53.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.323 0.582 . . . . 0.0 110.024 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 81' ' ' ALA . 75.8 m-85 -116.96 137.37 52.26 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.231 -175.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.3 m -91.65 111.05 23.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -97.38 118.64 44.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.082 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -107.81 102.41 11.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.149 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HG2' HD13 ' A' ' 77' ' ' LEU . 21.5 mt-10 -92.59 140.79 29.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.498 HG21 ' HA ' ' A' ' 75' ' ' LYS . 91.3 m -59.74 -40.91 89.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.91 177.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -69.69 -61.26 1.85 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.098 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -152.83 109.87 2.7 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.87 127.25 12.05 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.529 2.153 . . . . 0.0 111.368 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -87.89 -100.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.168 0.509 . . . . 0.0 111.557 -176.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -147.81 -162.94 1.65 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -91.27 133.5 35.35 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 170.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -131.97 157.27 44.49 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.157 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -82.25 170.69 15.11 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -174.712 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 m -53.3 -42.43 66.62 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -66.47 -47.77 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 110.969 -175.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.66 -36.42 84.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.3 tp -64.53 -43.03 95.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.09 176.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -54.49 -52.53 61.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.39 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.9 -37.6 82.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.571 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -63.31 -51.2 67.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 110.097 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.48 -38.49 87.48 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.525 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -60.11 -39.13 85.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.697 0.284 . . . . 0.0 111.004 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.506 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -77.42 -42.31 18.6 Favored Glycine 0 C--O 1.237 0.308 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.939 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.549 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -67.78 -21.03 65.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.777 0.322 . . . . 0.0 111.159 178.804 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.1 tp -85.92 -38.55 17.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.506 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 10.9 pt-20 -70.26 -27.25 64.29 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.341 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 65.5 pttt -74.71 -12.34 60.39 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.923 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.54 HD12 ' HG3' ' A' ' 39' ' ' LYS . 1.7 mp -94.57 137.96 21.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 m -62.18 146.03 51.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.151 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.54 -36.4 82.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.671 -174.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.4 m -77.92 -11.67 59.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.062 0.458 . . . . 0.0 110.661 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -96.25 -19.15 19.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.803 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.8 pp -86.14 156.78 57.27 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.463 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.493 ' HD2' HD12 ' A' ' 49' ' ' LEU . 88.6 Cg_exo -48.91 142.68 19.03 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.41 2.74 . . . . 0.0 113.716 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.79 -31.03 70.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.18 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -56.75 -38.16 72.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.095 0.474 . . . . 0.0 110.669 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.669 ' HB2' HD13 ' A' ' 45' ' ' LEU . 44.8 mt -74.09 -26.99 60.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.311 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -73.87 -28.01 61.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.341 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -70.14 -35.38 74.02 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.823 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 53.9 mt -72.84 140.79 47.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.012 176.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.92 -35.24 14.84 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.198 -172.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -99.61 143.04 30.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.575 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.55 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 47.8 tp -61.28 -49.02 89.76 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.609 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.3 Cg_endo -56.08 -38.12 95.3 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.955 1.77 . . . . 0.0 112.042 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.94 88.29 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.495 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 73.5 mt-30 -63.21 -52.97 60.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.476 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -61.63 -40.44 94.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.492 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.82 -42.36 95.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.557 ' O ' HG22 ' A' ' 65' ' ' THR . 28.9 m80 -69.0 -32.23 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.609 HD21 HD11 ' A' ' 49' ' ' LEU . 55.2 mt -53.18 -52.4 58.94 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 173.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 56.9 mt -58.13 -39.81 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.497 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.76 -47.16 55.49 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -172.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 61' ' ' HIS . 9.6 t -100.24 -25.12 14.36 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -169.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.7 m -145.43 -179.16 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.004 -0.435 . . . . 0.0 111.524 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.6 m -149.94 98.82 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 168.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -175.4 156.14 1.95 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.485 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.826 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 40.4 tp -167.37 111.73 0.7 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 172.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -70.64 115.56 9.94 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.5 m -120.74 18.31 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.006 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.82 168.42 17.44 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.524 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.26 98.21 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.831 0.348 . . . . 0.0 110.572 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.36 -5.78 71.16 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.041 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HA ' HG21 ' A' ' 17' ' ' THR . 56.2 mtmt -106.08 127.02 52.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.849 0.357 . . . . 0.0 110.589 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -136.28 153.9 51.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.248 0.547 . . . . 0.0 110.623 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.826 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 44.3 tp -105.86 118.02 35.52 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.72 176.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.41 154.24 42.22 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.469 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 48.6 p90 -154.03 141.45 19.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.534 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -141.22 143.59 34.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.013 0.435 . . . . 0.0 110.609 173.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -86.9 142.61 27.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.873 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.29 104.08 16.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.414 0.626 . . . . 0.0 110.38 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -112.02 131.86 55.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.476 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.6 mp 60.95 91.41 0.06 Allowed 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.793 0.683 . . . . 0.0 111.549 178.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -131.21 -167.83 1.91 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.976 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -72.71 140.41 47.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.755 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.4 tp -75.35 127.72 33.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.478 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -82.91 77.04 9.71 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.6 m80 59.31 -172.99 0.11 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.18 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -84.46 67.96 10.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.402 0.62 . . . . 0.0 109.566 170.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -79.07 98.89 6.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.181 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -109.79 155.31 21.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.886 0.374 . . . . 0.0 111.075 -176.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -162.18 156.24 21.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.828 -176.354 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.17 -41.96 25.28 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.563 2.175 . . . . 0.0 111.246 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -97.47 131.9 26.32 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.626 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.08 -37.62 8.17 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.664 2.243 . . . . 0.0 113.313 -174.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.479 ' HG ' ' HA ' ' A' ' 8' ' ' GLN . 27.4 tp -87.79 55.3 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.49 0.662 . . . . 0.0 111.205 -174.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 24.5 ttt -72.26 -33.04 67.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.207 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -70.68 -26.12 63.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.623 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.479 ' HA ' ' HG ' ' A' ' 5' ' ' LEU . 24.7 tt0 69.97 -65.66 0.3 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.875 0.734 . . . . 0.0 112.359 175.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.497 ' HG2' HD13 ' A' ' 27' ' ' ILE . 98.4 mt-30 -83.59 109.14 17.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.401 0.143 . . . . 0.0 111.179 -177.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.505 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.6 t70 -109.14 -168.89 1.39 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 174.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -107.18 116.83 32.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.999 0.428 . . . . 0.0 110.712 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 65.6 m-85 -118.77 130.64 55.9 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.0 t -98.72 121.94 49.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.552 HG23 HD21 ' A' ' 24' ' ' LEU . 92.6 t -99.39 117.53 44.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.309 0.576 . . . . 0.0 110.622 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -99.41 129.83 45.63 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.003 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.663 ' HB3' ' O ' ' A' ' 19' ' ' GLN . 0.5 OUTLIER -119.05 151.68 37.81 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 173.024 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 75' ' ' LYS . 99.6 m -55.39 -43.63 75.36 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -168.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -95.32 -28.31 15.04 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.461 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.663 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 20.4 pt20 -154.38 133.47 7.27 Favored Pre-proline 0 C--O 1.225 -0.221 0 CA-C-O 120.678 0.275 . . . . 0.0 110.926 175.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.12 150.76 29.76 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.234 1.956 . . . . 0.0 111.269 175.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -103.09 17.26 24.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.229 0.538 . . . . 0.0 110.384 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.435 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 81.0 mm-40 60.47 -155.2 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.877 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' H ' ' HB3' ' A' ' 22' ' ' GLN . 40.9 p90 -94.47 147.28 23.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.532 -174.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.552 HD21 HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -152.67 162.22 41.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.741 173.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 47.1 p -82.12 171.36 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.204 0.526 . . . . 0.0 112.188 -174.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 9' ' ' GLN . 4.9 m -51.61 -47.17 63.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.308 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.497 HD13 ' HG2' ' A' ' 9' ' ' GLN . 1.7 mp -66.58 -42.69 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.725 0.297 . . . . 0.0 110.767 -177.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.86 -43.23 96.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.8 tp -66.32 -36.72 83.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.808 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -56.74 18.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.134 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.551 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 54.7 mm-40 -61.2 -35.4 77.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.008 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -64.94 -51.54 61.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.448 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.0 mt -62.12 -35.26 78.2 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.08 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 54.5 mtpt -57.96 -40.26 80.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.632 0.253 . . . . 0.0 110.866 176.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.25 -53.15 19.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.951 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.862 ' HB3' HD21 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -57.64 -36.45 71.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.314 178.751 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.58 -43.95 62.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.636 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -75.72 -15.55 60.27 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.729 -175.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -89.01 -5.71 57.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.118 0.485 . . . . 0.0 109.815 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.526 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -95.53 144.13 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.085 172.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 m -59.5 130.95 49.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.97 0.414 . . . . 0.0 110.99 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.484 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . 91.2 m-85 -70.71 -10.77 60.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.086 -175.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.4 p -83.15 -22.55 33.27 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.212 0.529 . . . . 0.0 110.87 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.84 -19.61 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.468 -171.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.87 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.1 pp -72.67 156.26 90.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.709 176.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.61 151.68 24.0 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.231 2.621 . . . . 0.0 113.701 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.21 -28.03 68.85 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.879 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -49.84 -45.89 50.78 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.865 0.841 . . . . 0.0 110.566 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.87 ' HB2' HD13 ' A' ' 45' ' ' LEU . 22.0 mt -79.56 -21.01 45.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.714 -174.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.44 -22.33 54.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.241 0.544 . . . . 0.0 110.129 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -82.69 -34.71 27.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.943 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.7 mt -78.06 119.75 21.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.795 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.57 -30.04 62.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.72 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -98.44 132.57 43.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.703 0.287 . . . . 0.0 111.054 -175.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.523 ' HB3' ' HD3' ' A' ' 56' ' ' PRO . 34.6 tp -58.29 -44.81 99.56 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.358 177.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 53.6 Cg_exo -53.38 -44.19 51.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 122.068 1.845 . . . . 0.0 112.224 174.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.68 93.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.699 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -57.58 -55.86 29.4 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.672 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.01 -35.68 79.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.064 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -61.86 -41.4 97.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.613 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.541 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 61.0 t60 -70.24 -22.58 62.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.725 0.298 . . . . 0.0 110.63 -178.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 59' ' ' ALA . 96.0 mt -65.71 -53.1 45.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 171.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.82 -28.94 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.489 0.661 . . . . 0.0 109.834 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 33.2 t70 -64.72 -58.03 7.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.211 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 t -166.72 21.82 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.4 m -136.5 124.46 22.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.412 -0.805 . . . . 0.0 110.819 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.3 t -132.51 104.01 6.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.01 0.433 . . . . 0.0 111.581 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -172.18 121.83 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.984 169.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.862 HD21 ' HB3' ' A' ' 36' ' ' GLU . 32.5 tp -150.34 111.38 4.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.05 0.452 . . . . 0.0 110.74 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -93.32 107.11 18.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.381 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.558 HG23 ' HG3' ' A' ' 75' ' ' LYS . 24.2 m -98.76 17.95 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.544 -176.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 74.95 172.07 29.39 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.169 -0.538 . . . . 0.0 113.611 173.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 66.85 21.3 10.46 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.34 0.656 . . . . 0.0 112.162 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.23 0.91 87.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.945 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.558 ' HG3' HG23 ' A' ' 71' ' ' VAL . 24.9 pttm -104.42 147.72 27.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.925 0.393 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -124.08 149.0 46.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.68 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.538 HD22 ' HG2' ' A' ' 36' ' ' GLU . 13.1 tp -101.39 115.45 30.53 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -121.19 132.23 54.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.959 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.439 ' CZ2' ' HB3' ' A' ' 62' ' ' LEU . 44.1 p90 -126.37 144.16 50.92 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.892 0.377 . . . . 0.0 110.18 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.61 155.05 46.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.19 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -89.68 131.64 35.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.219 -175.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.26 102.47 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.532 0.682 . . . . 0.0 110.675 174.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -126.73 123.83 38.36 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.341 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.727 HD23 ' H ' ' A' ' 84' ' ' LEU . 2.5 pt? -111.76 144.99 40.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.835 -175.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -113.33 -3.06 13.86 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.853 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -95.78 90.1 5.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.62 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.468 HD23 ' H ' ' A' ' 87' ' ' LEU . 2.7 pt? -67.13 156.62 35.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.022 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.802 ' HG3' ' HB2' ' A' ' 91' ' ' HIS . 42.8 tt0 -92.1 92.12 8.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.275 0.56 . . . . 0.0 110.893 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -109.87 -38.95 5.22 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 173.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -138.6 98.34 3.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.843 172.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.802 ' HB2' ' HG3' ' A' ' 88' ' ' GLU . 5.3 t-160 -119.1 105.81 11.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.582 -174.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -75.87 -26.9 57.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.38 -173.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -137.86 164.55 28.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.8 m80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.864 178.274 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 42.7 mtt . . . . . 0 N--CA 1.485 1.288 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.515 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 52.8 Cg_exo -54.95 -70.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.362 1.271 0 C-N-CA 122.15 1.9 . . . . 0.0 112.516 -176.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.675 ' HB2' ' HA ' ' A' ' 6' ' ' MET . 35.6 m-20 -95.87 145.62 29.88 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 173.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -50.32 -64.63 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.983 2.456 . . . . 0.0 112.722 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.454 ' HG ' ' H ' ' A' ' 7' ' ' TYR . 2.3 pt? -82.87 -9.11 59.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.993 0.425 . . . . 0.0 110.103 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.675 ' HA ' ' HB2' ' A' ' 3' ' ' ASP . 23.6 ttt 66.95 13.71 9.56 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.924 174.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.454 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 28.8 m-85 -118.16 -86.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -159.05 -170.05 2.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.858 0.361 . . . . 0.0 111.141 -173.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -64.89 111.73 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 168.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -90.03 -158.04 0.5 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -127.41 139.52 52.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.668 0.746 . . . . 0.0 111.436 -174.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -121.05 137.98 54.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.551 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 23' ' ' PHE . 24.9 t -94.45 119.33 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.454 ' CG2' HD21 ' A' ' 24' ' ' LEU . 92.2 t -105.27 124.75 60.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.198 0.523 . . . . 0.0 111.298 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.5 mt -109.99 114.16 27.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.498 176.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.2 171.33 8.07 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.4 m -79.26 -43.84 22.93 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.078 0.466 . . . . 0.0 110.824 -177.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -66.52 -45.72 78.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.605 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -154.72 140.37 12.48 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.714 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -79.53 126.88 6.98 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 121.809 1.673 . . . . 0.0 109.675 165.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HG3' ' H ' ' A' ' 22' ' ' GLN . 5.1 pt-20 -109.35 -98.13 0.39 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -171.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.582 ' HG2' ' N ' ' A' ' 23' ' ' PHE . 14.9 tt0 -154.22 172.93 16.82 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.757 -170.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.582 ' N ' ' HG2' ' A' ' 22' ' ' GLN . 50.9 p90 -77.55 148.43 35.23 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 172.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD12 ' CB ' ' A' ' 28' ' ' GLU . 1.1 pt? -146.09 169.49 18.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.437 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -83.07 162.6 21.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.063 -175.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.469 HG23 HG21 ' A' ' 63' ' ' ILE . 8.8 m -48.52 -47.05 39.31 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.004 0.522 . . . . 0.0 112.099 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.491 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 51.3 mm -60.96 -41.65 89.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.365 0.602 . . . . 0.0 110.846 -178.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.464 ' CB ' HD12 ' A' ' 24' ' ' LEU . 36.3 mt-10 -67.93 -37.09 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.515 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.07 -35.33 79.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.337 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 19.5 mt -52.49 -54.56 30.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.711 173.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -58.38 -37.9 76.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.953 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.78 -57.89 10.11 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.846 0.355 . . . . 0.0 110.562 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.25 -42.63 98.95 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.783 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -54.48 -49.39 70.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.05 -49.34 54.51 Favored Glycine 0 C--O 1.239 0.426 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.429 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 47.5 mm-40 -60.18 -44.11 95.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.505 0.193 . . . . 0.0 110.524 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.55 -43.45 93.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.879 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HB3' HD21 ' A' ' 55' ' ' LEU . 10.6 pt-20 -69.67 -20.17 63.58 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.552 -175.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' NZ ' ' HA ' ' A' ' 36' ' ' GLU . 29.9 mtmm -65.89 -32.33 73.77 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.27 172.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -75.34 140.01 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -58.13 133.59 55.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.906 0.384 . . . . 0.0 110.703 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -67.11 -12.37 59.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.899 -176.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 m -96.09 -3.76 44.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.925 0.393 . . . . 0.0 111.017 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.05 -41.82 6.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.072 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.59 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.8 pp -58.49 158.2 15.79 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.293 -178.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.544 ' HD2' HD12 ' A' ' 49' ' ' LEU . 77.0 Cg_exo -43.01 139.29 3.64 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.402 2.734 . . . . 0.0 113.526 -175.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.485 ' HG ' ' HE3' ' A' ' 51' ' ' LYS . 58.0 tp -58.26 -31.59 67.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.459 -177.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -60.99 -39.65 90.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.179 0.514 . . . . 0.0 110.323 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.59 ' HB2' HD13 ' A' ' 45' ' ' LEU . 39.1 mt -72.1 -31.89 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.939 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.96 -27.69 69.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.729 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.485 ' HE3' ' HG ' ' A' ' 47' ' ' LEU . 91.2 mttt -76.65 -34.17 58.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.92 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -74.68 109.29 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.643 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -65.62 -28.69 69.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.311 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -96.02 129.64 43.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.102 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.583 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 43.1 tp -62.94 -45.94 87.19 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.674 177.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.9 Cg_endo -55.89 -31.46 81.42 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 122.28 1.986 . . . . 0.0 112.259 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.55 -40.6 73.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.539 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -60.3 -52.03 67.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.288 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.34 86.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.26 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -63.36 -39.27 94.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.781 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -55.66 -42.43 75.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.56 -52.23 66.08 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.486 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.469 HG21 HG23 ' A' ' 26' ' ' THR . 85.2 mt -55.63 -45.62 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.37 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.44 -37.28 85.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.99 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 66' ' ' SER . 21.7 p -108.6 -79.93 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.527 ' HB2' ' O ' ' A' ' 65' ' ' THR . 24.9 t 156.63 160.23 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.495 1.118 . . . . 0.0 108.223 -174.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 19.9 t -176.04 158.76 2.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.856 0.36 . . . . 0.0 110.24 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -106.87 120.18 41.33 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 172.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 tp -129.07 122.87 30.86 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -171.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.48 113.85 20.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 166.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.633 HG23 ' HB2' ' A' ' 75' ' ' LYS . 7.6 m -90.62 16.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -171.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.95 156.45 32.69 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.349 172.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 67.66 15.51 9.72 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.062 0.545 . . . . 0.0 111.523 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.24 0.31 77.19 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.043 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.633 ' HB2' HG23 ' A' ' 71' ' ' VAL . 41.0 mtmt -79.37 146.62 32.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.277 0.561 . . . . 0.0 110.275 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -124.3 120.08 31.16 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD22 HG11 ' A' ' 71' ' ' VAL . 43.5 tp -105.49 130.03 53.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.887 0.375 . . . . 0.0 111.336 -174.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -129.83 131.08 46.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.823 175.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -132.66 140.37 48.13 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -134.36 139.46 45.65 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.7 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.61 118.24 26.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.399 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.2 m -83.78 103.04 10.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.646 0.736 . . . . 0.0 109.928 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 83' ' ' ARG . 12.8 ptt180 -131.41 120.63 23.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.235 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.5 tp 178.51 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.036 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -76.3 84.62 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.763 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -87.88 1.43 54.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.576 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -96.13 101.08 12.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.649 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -67.96 107.92 2.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.621 -177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -83.66 155.51 23.13 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -57.89 138.22 55.97 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.25 0.344 . . . . 0.0 110.7 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -99.51 -91.48 0.29 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.974 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 67.0 t60 47.59 88.33 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.83 0.706 . . . . 0.0 111.598 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -77.26 94.18 4.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.605 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.374 -0.822 . . . . 0.0 112.265 174.844 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.689 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 15.5 tpt . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 119.535 -0.269 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 35.0 Cg_exo -61.04 -39.83 56.89 Favored 'Trans proline' 0 C--N 1.362 1.242 0 C-N-CA 121.457 1.438 . . . . 0.0 110.107 171.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.2 130.48 80.19 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.573 171.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -67.46 -38.41 14.81 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.388 2.059 . . . . 0.0 112.055 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.8 ' HB2' ' HG3' ' A' ' 8' ' ' GLN . 9.2 mp -102.69 119.63 39.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.845 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.2 mtt -83.16 -27.98 29.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.318 0.58 . . . . 0.0 109.477 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -86.6 -56.74 3.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.126 172.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.8 ' HG3' ' HB2' ' A' ' 5' ' ' LEU . 1.5 tt0 67.8 176.05 0.26 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.246 173.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -145.33 99.67 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.935 0.397 . . . . 0.0 110.86 176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 25' ' ' THR . 13.1 t70 -116.87 -169.07 1.57 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 171.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.39 116.13 31.39 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.68 0.752 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 20.3 m-85 -103.27 140.25 37.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.924 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.8 p -87.13 112.08 22.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.699 0.762 . . . . 0.0 110.711 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG21 HD13 ' A' ' 29' ' ' LEU . 90.9 t -103.71 129.89 55.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.886 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.574 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . 53.7 mt -92.3 102.11 14.6 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.592 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' A' ' 19' ' ' GLN . 1.7 tm-20 -107.01 161.27 14.88 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -86.07 -41.45 14.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.807 0.337 . . . . 0.0 111.532 -172.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.411 ' HB2' ' OE1' ' A' ' 16' ' ' GLU . 44.3 m-80 -72.67 -60.64 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.048 0.451 . . . . 0.0 109.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 3.2 pp0? -114.74 114.26 44.47 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-O 121.511 0.672 . . . . 0.0 109.548 177.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -85.79 158.45 10.41 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.576 2.184 . . . . 0.0 113.775 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 51.52 63.57 2.19 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.495 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.571 ' HG2' HD22 ' A' ' 24' ' ' LEU . 61.3 tt0 -93.85 111.55 23.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.644 177.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.515 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 22.7 p90 -101.09 116.07 31.97 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.405 0.621 . . . . 0.0 110.226 176.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD22 ' HG2' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -134.83 172.78 12.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.069 -176.08 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 31.6 p -89.83 168.98 11.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.036 0.445 . . . . 0.0 111.5 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -51.22 -52.67 42.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.267 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.04 -37.42 67.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.132 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.18 -50.69 63.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.712 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.498 HD13 HG21 ' A' ' 14' ' ' VAL . 36.4 tp -60.8 -33.44 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.659 -178.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 60' ' ' GLN . 5.1 mt -56.97 -62.7 1.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.097 175.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 52.2 mm-40 -60.95 -33.56 73.37 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.17 -176.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -57.12 14.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.732 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.01 -37.06 86.06 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.545 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 56.6 mtpt -56.54 -38.25 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.602 0.239 . . . . 0.0 111.039 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.637 ' O ' ' HG3' ' A' ' 39' ' ' LYS . . . -70.76 -53.81 11.07 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.036 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.482 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -61.32 -32.3 72.17 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.454 -0.439 . . . . 0.0 111.051 179.829 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.0 tp -66.47 -40.11 89.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.34 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.619 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 3.2 pp20? -76.57 -13.68 60.06 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.804 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.637 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 45.1 mttm -81.88 -27.24 33.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.033 0.444 . . . . 0.0 110.575 173.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.6 mp -80.38 142.05 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.078 177.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.5 m -60.32 140.47 57.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.059 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.13 -21.78 63.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.931 0.396 . . . . 0.0 111.119 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -92.03 0.53 57.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -107.63 -34.16 7.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.765 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -67.04 153.63 94.15 Favored Pre-proline 0 C--O 1.238 0.452 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.631 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.475 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 79.9 Cg_exo -46.48 142.51 9.46 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.503 2.802 . . . . 0.0 113.701 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -37.42 74.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.395 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 3.9 tp10 -57.65 -33.07 67.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.616 0.722 . . . . 0.0 110.431 -176.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.543 ' HB2' HD13 ' A' ' 45' ' ' LEU . 36.0 mt -72.42 -26.3 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.155 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -73.61 -25.37 60.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.869 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 5.2 mptp? -70.05 -36.02 74.69 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.381 0.61 . . . . 0.0 110.209 171.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.543 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 68.3 mt -78.48 112.52 15.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.539 -178.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.13 -34.65 78.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.898 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 t -92.17 123.96 35.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 49.2 tp -54.8 -49.82 89.48 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.771 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.2 Cg_endo -56.79 -39.62 90.08 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 121.83 1.687 . . . . 0.0 112.637 175.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.88 78.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.761 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.543 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 78.2 mt-30 -61.38 -51.14 70.03 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.275 176.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.558 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -61.54 -39.47 91.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.921 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.419 ' HB2' HD21 ' A' ' 30' ' ' LEU . 23.8 tp60 -62.64 -40.18 96.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.584 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -65.68 -34.79 79.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.571 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.78 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 92.4 mt -58.61 -49.0 79.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.076 0.465 . . . . 0.0 110.128 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.643 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 38.5 mt -63.54 -37.95 80.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.677 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -68.14 -61.91 1.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.478 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 p -150.39 70.42 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.78 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 49.0 m -147.91 -174.9 4.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.318 -0.239 . . . . 0.0 110.481 171.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 57.9 m -107.02 -166.13 1.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.421 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 77' ' ' LEU . 3.0 mp0 -94.35 176.37 6.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -141.81 153.56 44.6 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.926 0.394 . . . . 0.0 111.748 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -85.05 126.45 33.58 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.447 HG23 ' HG3' ' A' ' 75' ' ' LYS . 32.8 m -105.27 14.17 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.857 -172.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 94.17 149.45 25.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.991 176.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 72.01 18.63 4.88 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.33 0.652 . . . . 0.0 112.126 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.25 -8.67 69.89 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.709 -0.758 . . . . 0.0 113.227 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 25.7 pttm -89.62 143.33 26.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -113.56 170.98 7.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.493 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 36.6 tp -135.02 111.67 9.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.623 176.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.574 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 1.6 mp0 -113.55 143.03 45.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.057 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.643 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 38.2 p90 -147.06 137.92 23.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 176.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -142.12 137.87 31.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.119 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.07 113.45 18.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.799 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.4 m -99.83 105.14 17.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.042 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -118.05 120.01 36.5 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 173.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.2 tp -151.06 47.27 0.84 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.765 ' HB3' ' HB2' ' A' ' 89' ' ' HIS . 43.7 mt-10 -79.02 85.84 4.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.107 -175.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -102.6 -40.74 6.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.142 0.496 . . . . 0.0 109.7 175.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.8 tp -117.57 -36.83 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.369 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -82.74 15.25 2.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.64 -176.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.765 ' HB2' ' HB3' ' A' ' 85' ' ' GLU . 36.9 t60 -82.05 -18.19 44.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -58.84 119.16 6.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.598 176.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 51.54 23.26 1.8 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.083 0.953 . . . . 0.0 112.194 -175.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 63.54 179.31 0.16 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.36 0.6 . . . . 0.0 112.052 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -69.59 101.52 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.015 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.728 177.873 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.51 -30.14 43.81 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.381 2.054 . . . . 0.0 110.73 172.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.424 ' HB3' ' HD2' ' A' ' 4' ' ' PRO . 8.0 m-20 -80.6 162.38 60.82 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.811 173.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 3' ' ' ASP . 29.0 Cg_endo -63.67 161.37 32.37 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 121.692 1.595 . . . . 0.0 111.549 175.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.918 HD23 ' H ' ' A' ' 5' ' ' LEU . 1.5 pt? -75.59 14.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.088 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 54.1 ttp 76.02 -44.44 0.5 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.664 0.786 . . . . 0.0 112.219 172.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 71.1 m-85 -85.25 -10.18 56.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.756 0.312 . . . . 0.0 110.431 176.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 19.5 mp0 70.26 170.23 0.31 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.836 -174.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.533 ' HG2' HG12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -61.69 148.11 43.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.214 -175.373 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.404 ' HB2' ' NH2' ' A' ' 83' ' ' ARG . 6.3 p-10 -70.88 154.26 41.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.223 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.578 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 4.1 p-10 -107.07 147.02 30.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.219 0.533 . . . . 0.0 111.239 -176.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.431 ' HD1' ' HA ' ' A' ' 81' ' ' ALA . 96.6 m-85 -115.4 144.3 44.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.575 177.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.546 ' HB ' ' HD2' ' A' ' 80' ' ' TYR . 59.3 t -86.07 106.91 15.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.516 HG21 HD13 ' A' ' 29' ' ' LEU . 22.4 t -112.05 103.8 16.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.517 -175.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -95.38 101.74 13.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.026 0.441 . . . . 0.0 110.152 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' HB3' ' HA ' ' A' ' 20' ' ' PRO . 35.9 tt0 -83.59 153.91 24.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.913 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -75.58 -53.3 8.83 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -72.19 -78.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.797 -173.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -125.38 100.72 31.9 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 177.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HA ' ' HB3' ' A' ' 16' ' ' GLU . 5.6 Cg_exo -73.23 127.89 12.41 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.602 2.201 . . . . 0.0 112.142 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -88.83 170.83 10.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.49 149.48 49.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.466 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . 3.5 p90 -51.9 137.69 25.96 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.511 0.507 . . . . 0.0 110.549 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 28' ' ' GLU . 1.3 pt? -136.47 164.68 27.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.582 -165.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 11' ' ' ASN . 43.9 p -77.36 169.55 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.919 -174.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 m -49.59 -46.69 49.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.919 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.533 HG12 ' HG2' ' A' ' 9' ' ' GLN . 44.7 mm -67.09 -43.44 88.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -177.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.517 ' HB3' HD12 ' A' ' 24' ' ' LEU . 20.7 mm-40 -63.21 -41.53 99.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.163 0.506 . . . . 0.0 110.104 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 14' ' ' VAL . 64.8 tp -60.97 -41.71 96.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.268 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.0 mt -53.84 -52.08 61.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.891 175.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.478 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 7.3 mm-40 -58.09 -40.13 80.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.447 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 23.1 ttmm -69.03 -52.54 27.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.648 176.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.1 mt -55.8 -46.34 78.05 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.721 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 43.6 mtmt -57.95 -41.35 82.67 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.282 0.364 . . . . 0.0 111.006 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.519 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -69.05 -46.82 57.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.433 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 6.6 mm-40 -69.22 -19.07 63.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.188 0.518 . . . . 0.0 110.36 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 tp -84.62 -42.73 15.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.228 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -70.67 -20.84 62.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.397 -176.701 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 17.7 ptpt -77.58 -8.16 57.42 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.92 0.391 . . . . 0.0 110.455 175.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.0 mt -94.93 142.84 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -67.06 135.58 53.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.056 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.425 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 84.6 m-85 -67.7 -10.64 54.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.335 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.5 p -83.33 -14.35 53.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.92 0.391 . . . . 0.0 110.924 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -110.54 -37.82 5.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.654 -171.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.713 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.6 pp -63.0 153.44 80.81 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.064 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' HD12 ' A' ' 49' ' ' LEU . 98.5 Cg_exo -45.03 145.14 3.28 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.674 2.916 . . . . 0.0 113.909 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.524 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 41.6 tp -60.25 -30.54 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.219 -177.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.03 -43.01 63.53 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.506 0.67 . . . . 0.0 110.671 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.713 ' HB2' HD13 ' A' ' 45' ' ' LEU . 27.4 mt -78.73 -17.1 56.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.907 -176.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -81.91 -18.93 41.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.87 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 47' ' ' LEU . 91.3 mttt -83.26 -34.43 25.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.911 177.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 58' ' ' GLN . 62.2 mt -85.23 134.63 34.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.282 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.78 -30.86 16.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.861 0.363 . . . . 0.0 111.283 -177.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -92.04 138.25 31.69 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.745 0.307 . . . . 0.0 110.828 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.559 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 12.7 tp -62.66 -48.07 86.75 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.659 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.8 Cg_endo -55.29 -38.09 94.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 122.247 1.965 . . . . 0.0 112.229 176.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -45.78 84.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.608 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.459 ' HB3' HD22 ' A' ' 49' ' ' LEU . 79.5 mt-30 -59.4 -51.22 70.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.761 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 62' ' ' LEU . . . -61.87 -40.53 95.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.657 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.57 -36.57 82.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.684 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.508 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 46.8 t60 -64.89 -27.56 68.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.226 0.536 . . . . 0.0 109.922 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 95.3 mt -64.64 -51.79 60.75 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.04 -36.23 66.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.676 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.508 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 3.5 p30 -86.81 -34.68 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -174.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 p -129.03 -36.86 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.6 m -128.83 124.59 35.76 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 119.772 -0.771 . . . . 0.0 112.725 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 64.4 m -117.09 101.59 8.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.21 0.528 . . . . 0.0 110.443 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -173.01 118.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.4 tp -157.59 111.74 2.61 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.105 -177.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.56 117.76 32.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 170.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.504 HG12 ' HB3' ' A' ' 36' ' ' GLU . 29.6 m -86.09 4.49 3.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.698 -171.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.55 111.46 1.2 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.337 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 56.93 70.72 0.63 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.84 19.02 74.79 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.949 -0.569 . . . . 0.0 113.585 171.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -114.63 120.54 40.5 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -107.55 151.05 26.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.286 0.565 . . . . 0.0 111.835 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.1 tp -119.41 112.1 18.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.694 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -125.2 132.94 52.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 34.7 p90 -118.82 122.17 41.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.196 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.546 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 2.0 m-85 -97.57 122.26 40.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.431 ' HA ' ' HD1' ' A' ' 12' ' ' PHE . . . -74.94 111.67 10.38 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m -122.16 126.61 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.677 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.473 ' HA ' ' HE ' ' A' ' 83' ' ' ARG . 1.3 mmp_? -105.67 120.64 42.2 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.8 tp -122.73 101.08 7.25 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.988 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -163.7 155.04 16.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.353 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.538 ' HG2' HD12 ' A' ' 87' ' ' LEU . 64.0 tttp -158.22 -66.69 0.09 Allowed 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.538 HD12 ' HG2' ' A' ' 86' ' ' LYS . 8.9 mp -117.37 136.95 52.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.73 176.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.59 79.29 1.9 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 169.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -142.42 27.39 1.72 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.042 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -145.14 35.42 1.1 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.714 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -73.6 112.87 10.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.723 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -101.2 37.53 1.75 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.015 176.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 66.9 105.89 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.521 -175.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.5 p80 . . . . . 0 C--O 1.245 0.817 0 CA-C-O 118.104 -0.95 . . . . 0.0 110.319 178.557 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.97 98.88 0.73 Allowed 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.351 2.034 . . . . 0.0 110.37 170.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 35.0 t70 -110.08 119.69 46.56 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.565 -174.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 3' ' ' ASP . 74.7 Cg_exo -55.76 146.2 67.68 Favored 'Trans proline' 0 CA--C 1.519 -0.241 0 C-N-CA 123.263 2.642 . . . . 0.0 113.26 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.829 HD23 ' H ' ' A' ' 5' ' ' LEU . 2.3 pt? -88.72 143.49 26.88 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.157 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -15.53 60.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.052 -178.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -72.38 -59.07 2.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.644 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.494 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 26.4 tt0 -84.36 90.87 7.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.278 0.561 . . . . 0.0 110.695 -176.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.496 ' OE1' ' HB ' ' A' ' 25' ' ' THR . 43.0 mt-30 -138.76 155.92 47.79 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.152 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -104.2 162.47 13.16 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -106.52 115.79 30.82 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.521 0.677 . . . . 0.0 109.51 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 86.0 m-85 -110.7 131.08 55.36 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.258 -176.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 2.6 p -86.24 107.06 16.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.781 0.8 . . . . 0.0 109.723 177.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.0 t -93.51 123.99 45.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.078 -175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 mt -91.73 102.16 14.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.087 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.06 161.95 18.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.487 -176.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 m -92.4 -31.74 15.2 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.189 0.519 . . . . 0.0 110.133 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -95.72 -11.78 26.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.651 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 24.7 mm-40 -130.01 133.45 25.0 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.488 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 19' ' ' GLN . 35.9 Cg_exo -61.45 152.41 73.18 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.364 2.043 . . . . 0.0 111.43 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.58 109.81 1.3 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.43 0.633 . . . . 0.0 110.986 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 41.1 mt-30 -136.06 153.72 51.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.307 -177.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 14.5 p90 -94.56 111.67 23.43 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.9 pp -121.63 175.15 6.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.11 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.496 ' HB ' ' OE1' ' A' ' 9' ' ' GLN . 50.1 p -80.57 162.56 24.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.776 -174.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -55.91 -39.72 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.635 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.4 HG12 ' OE1' ' A' ' 9' ' ' GLN . 33.4 mm -60.28 -45.13 96.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.819 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.488 ' HB2' HD13 ' A' ' 24' ' ' LEU . 38.7 mt-10 -62.35 -39.84 94.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.07 -42.71 80.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.385 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 30' ' ' LEU . 7.5 mt -58.0 -55.36 35.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.391 178.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.67 -39.46 77.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.374 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -63.4 -53.8 46.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.0 mt -57.37 -44.82 84.72 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.011 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -57.81 -54.7 43.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.771 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -65.34 -46.88 84.59 Favored Glycine 0 C--O 1.24 0.506 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.133 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.04 73.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.635 -0.283 . . . . 0.0 111.494 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.3 tp -79.82 -37.36 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.349 0.406 . . . . 0.0 111.786 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 1.8 pp20? -68.68 -25.65 64.9 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.186 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -82.09 -5.18 58.21 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.235 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mp -85.49 140.23 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 170.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 m -60.56 138.96 57.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.018 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -63.68 -34.8 78.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.7 p -86.54 10.82 14.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.996 0.427 . . . . 0.0 111.077 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -113.24 -36.27 5.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.649 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.646 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.2 pp -73.03 158.54 86.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.014 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD2' HD12 ' A' ' 49' ' ' LEU . 86.4 Cg_exo -47.42 144.39 10.05 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.482 2.788 . . . . 0.0 113.631 -177.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.55 -28.22 69.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.146 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 48' ' ' GLU . 21.8 mp0 -61.33 -41.05 96.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.312 0.577 . . . . 0.0 109.599 177.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.646 ' HB2' HD13 ' A' ' 45' ' ' LEU . 48.7 mt -74.59 -27.58 60.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.902 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -68.0 -22.76 64.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.525 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -85.46 -29.11 24.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.076 0.465 . . . . 0.0 110.349 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.94 106.91 13.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.771 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.32 -24.51 63.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.421 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -93.74 124.53 37.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.532 ' HB3' ' HD3' ' A' ' 56' ' ' PRO . 59.4 tp -57.94 -46.25 99.72 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.226 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 51.6 Cg_exo -56.52 -38.17 95.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 121.844 1.696 . . . . 0.0 112.13 174.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.76 82.0 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.731 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.542 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 51.5 mt-30 -55.34 -52.16 64.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.488 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.62 95.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.398 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -63.6 -42.45 98.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.105 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -64.53 -30.68 71.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.994 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.856 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.7 mt -60.77 -50.19 74.44 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.606 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 73.6 mt -59.16 -45.76 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.695 177.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -64.9 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.128 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.18 70.17 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.042 0.449 . . . . 0.0 111.965 -176.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.856 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 57.5 m -146.05 -169.78 3.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.768 0.318 . . . . 0.0 110.412 170.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.502 ' HB3' ' OE1' ' A' ' 68' ' ' GLU . 60.5 m -103.2 -149.26 0.4 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.321 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.502 ' OE1' ' HB3' ' A' ' 67' ' ' CYS . 2.2 pm0 -94.64 165.18 12.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.858 0.361 . . . . 0.0 110.22 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -131.11 123.33 28.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.207 -174.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -83.91 132.95 34.74 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 168.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 75' ' ' LYS . 27.5 m -112.33 26.64 3.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -168.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.18 176.53 51.53 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.229 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 59.03 15.88 4.31 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.921 0.488 . . . . 0.0 112.078 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.27 7.25 77.33 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 121.422 -0.418 . . . . 0.0 113.343 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' HG3' HG23 ' A' ' 71' ' ' VAL . 19.8 ptmt -100.35 140.81 34.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.194 0.497 . . . . 0.0 110.54 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -111.26 142.69 43.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.015 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.4 tp -114.35 112.2 22.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.502 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -122.58 131.87 54.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.327 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.606 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 30.8 p90 -136.61 137.64 40.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.846 0.355 . . . . 0.0 110.187 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -141.59 145.96 35.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.335 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.48 136.46 36.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.408 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.9 m -83.4 133.04 29.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -128.77 142.35 51.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.217 -173.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.26 -41.59 99.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.013 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -118.95 133.7 55.66 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.778 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -106.61 94.83 5.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.273 0.558 . . . . 0.0 110.791 -176.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.886 HD23 ' H ' ' A' ' 87' ' ' LEU . 1.7 pt? -88.15 -5.21 58.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.318 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -61.4 -24.68 66.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.231 176.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -75.89 75.09 2.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.072 0.463 . . . . 0.0 110.527 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -132.13 10.86 4.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.438 174.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -112.83 162.63 15.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.451 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -90.47 134.8 34.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.729 0.3 . . . . 0.0 110.827 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -126.16 107.56 10.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.915 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.847 179.749 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tmm? . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -84.78 -77.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 122.877 2.384 . . . . 0.0 112.671 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -93.95 160.7 31.85 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.391 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.73 167.58 8.25 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.404 2.069 . . . . 0.0 111.331 174.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.49 HD11 ' HG3' ' A' ' 9' ' ' GLN . 2.3 pt? -52.12 131.65 32.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.277 -176.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 59.2 mtt -67.02 -40.23 87.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.314 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -88.06 81.13 7.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.01 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -53.8 135.04 42.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.735 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.649 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 77.5 mt-30 -80.43 102.74 9.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.373 176.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' THR . 15.3 m-20 -67.73 166.1 15.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.493 -177.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -106.55 125.7 51.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.407 0.622 . . . . 0.0 109.973 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -124.14 139.81 53.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.65 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 80' ' ' TYR . 28.0 m -94.01 129.31 44.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.7 t -102.87 117.5 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.484 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.699 ' HA ' ' HB3' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -119.36 101.92 8.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.698 0.761 . . . . 0.0 109.705 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 75' ' ' LYS . 46.7 mt-10 -93.3 159.26 15.35 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.579 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.481 ' HB ' ' HA ' ' A' ' 75' ' ' LYS . 70.3 m -54.94 -43.96 73.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.617 176.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -79.43 -74.32 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.948 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -128.47 106.32 19.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.699 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 3.0 Cg_exo -76.38 127.4 9.73 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.923 2.416 . . . . 0.0 111.162 172.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -101.0 -169.69 1.74 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.737 0.303 . . . . 0.0 110.684 -178.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -81.32 -163.32 0.6 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.058 0.456 . . . . 0.0 110.979 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -86.51 145.97 26.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.383 -177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -143.28 172.97 12.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.542 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.649 ' HB ' ' HB3' ' A' ' 9' ' ' GLN . 81.1 p -85.84 170.47 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -172.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 m -52.43 -45.81 66.14 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.032 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.445 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 46.9 mm -61.94 -47.18 94.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.625 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 9.5 mm-40 -55.86 -46.02 78.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.016 176.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.8 tp -65.09 -44.57 88.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.8 mt -52.59 -51.86 57.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.755 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 19.8 mm-40 -65.14 -38.18 89.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.151 -174.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 3.7 ptpp? -79.76 -33.18 40.88 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.251 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.99 -45.91 92.91 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.574 ' HG2' ' HG ' ' A' ' 55' ' ' LEU . 9.1 mtpp -57.3 -46.03 83.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.255 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.99 -48.64 78.83 Favored Glycine 0 C--O 1.237 0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.516 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 7.4 mm-40 -73.82 -18.71 60.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.704 0.287 . . . . 0.0 111.284 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.4 tp -82.93 -37.29 24.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.707 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -78.46 -16.69 57.29 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.099 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -81.93 -7.08 59.58 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.279 0.561 . . . . 0.0 109.602 172.129 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.5 mt -94.07 138.4 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.814 175.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.434 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 16.1 m -69.6 150.19 47.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.815 0.341 . . . . 0.0 110.535 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.496 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 85.4 m-85 -68.95 -14.79 63.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.2 t -85.48 -12.91 50.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.512 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' A' ' 41' ' ' SER . 29.5 m-20 -95.29 -39.13 10.21 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.895 0.378 . . . . 0.0 110.564 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.6 pp -72.68 146.37 88.22 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.41 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.488 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 22.2 Cg_endo -61.64 158.81 35.26 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.872 2.381 . . . . 0.0 113.519 -176.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.419 HD12 ' OE1' ' A' ' 50' ' ' GLN . 43.1 tp -52.42 -34.12 47.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.761 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -51.17 -47.76 62.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.699 ' HB2' HD13 ' A' ' 45' ' ' LEU . 24.1 mt -78.69 -15.31 58.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.547 -174.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.419 ' OE1' HD12 ' A' ' 47' ' ' LEU . 74.3 mt-30 -76.15 -33.11 59.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.032 0.444 . . . . 0.0 109.975 177.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -87.43 -23.3 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.045 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.451 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 96.2 mt -76.86 106.38 8.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.969 0.414 . . . . 0.0 109.927 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.91 -24.18 64.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.542 -173.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.6 m -100.08 129.65 46.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.276 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.582 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 17.7 tp -63.02 -46.05 86.84 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.536 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.7 Cg_endo -55.33 -39.14 92.64 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 121.939 1.759 . . . . 0.0 112.451 175.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.54 86.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.872 0.367 . . . . 0.0 110.793 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.522 ' HB3' HD22 ' A' ' 49' ' ' LEU . 77.0 mt-30 -62.97 -53.86 47.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.339 177.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.57 95.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.341 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.1 -36.58 84.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.45 -39.02 89.33 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.126 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.814 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.1 mt -59.47 -51.0 71.75 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.267 177.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.79 -48.97 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.567 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.7 -50.68 71.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.709 -175.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.9 t -164.87 78.99 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.784 0.802 . . . . 0.0 111.687 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.814 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 51.4 m -150.65 -174.97 4.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.609 169.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.2 m -101.64 -147.55 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.33 164.07 13.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.77 0.319 . . . . 0.0 110.519 -174.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.6 tp -121.55 117.29 26.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.197 -172.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -74.08 114.87 12.91 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 171.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.516 ' CG1' ' HB3' ' A' ' 36' ' ' GLU . 10.2 m -110.98 23.38 4.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.106 0.479 . . . . 0.0 111.736 -172.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.97 174.34 50.3 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.998 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.18 18.21 11.13 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.179 0.592 . . . . 0.0 111.742 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.21 13.74 79.44 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.472 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.487 ' HE3' ' CG2' ' A' ' 71' ' ' VAL . 34.1 ttpt -108.48 123.41 48.83 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.115 0.483 . . . . 0.0 110.387 -177.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -93.58 136.8 33.5 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.05 111.77 23.7 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.552 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . 44.8 tp60 -116.86 131.39 56.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.903 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -128.41 129.47 46.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.176 0.512 . . . . 0.0 110.105 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.574 ' HD1' HD21 ' A' ' 15' ' ' LEU . 9.5 m-85 -105.82 123.13 47.45 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.679 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.67 111.22 13.22 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 171.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 m -140.86 102.61 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.448 0.642 . . . . 0.0 110.416 -176.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -93.04 160.66 14.76 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.492 -177.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 84' ' ' LEU . 1.5 pp -76.34 3.53 10.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.672 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 62.44 88.1 0.1 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.109 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -103.04 -30.09 10.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.425 -173.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.5 tp -118.47 143.39 46.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.898 0.38 . . . . 0.0 111.107 -176.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.49 133.89 45.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.005 173.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.507 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 3.4 m-70 -126.72 15.71 7.51 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 89' ' ' HIS . 41.5 m-70 74.79 -54.22 0.67 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -168.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -117.84 121.2 40.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.349 172.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -101.42 172.37 7.02 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.65 -25.88 14.56 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.84 -169.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.909 176.451 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -80.25 -176.03 3.0 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.764 2.31 . . . . 0.0 112.309 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -74.39 149.69 86.76 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.221 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.05 -171.38 0.68 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.445 2.097 . . . . 0.0 112.18 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.614 HD12 ' HB3' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -74.88 165.97 24.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.073 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.0 mtt -74.12 42.87 0.15 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.663 0.385 . . . . 0.0 111.782 -175.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 50.76 60.17 4.07 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 122.106 0.955 . . . . 0.0 110.848 -173.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.614 ' HB3' HD12 ' A' ' 5' ' ' LEU . 20.5 tt0 -79.88 146.52 32.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.797 -1.547 . . . . 0.0 109.737 177.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -88.54 126.51 35.3 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.793 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -110.93 -158.79 0.66 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -111.93 136.77 50.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.469 0.652 . . . . 0.0 111.976 -171.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -117.2 123.96 47.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.27 174.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.8 t -86.39 113.58 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG21 HD13 ' A' ' 29' ' ' LEU . 65.7 t -109.5 125.13 66.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.731 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.3 mt -96.35 113.81 25.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.594 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.89 155.79 45.46 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.137 -175.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.2 m -102.27 -61.27 1.41 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.441 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -102.56 -6.09 23.21 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -172.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 19.1 tm0? -116.47 96.56 48.26 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 19' ' ' GLN . 20.8 Cg_exo -66.51 127.66 17.71 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 123.273 2.648 . . . . 0.0 114.277 -168.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -178.5 156.54 0.93 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.9 172.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -106.5 -54.77 2.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.644 0.259 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -151.14 149.37 29.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -147.71 167.99 23.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.095 -178.618 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' A' ' 28' ' ' GLU . 3.2 p -81.92 168.2 18.15 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -48.4 -52.19 23.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.488 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -60.79 -44.04 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.407 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.531 ' HB2' HD12 ' A' ' 24' ' ' LEU . 4.2 mm-40 -65.92 -41.14 91.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 -177.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.442 HD13 HG21 ' A' ' 14' ' ' VAL . 66.3 tp -63.18 -40.9 98.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.495 178.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -56.82 -52.57 64.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.133 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.58 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 65.6 mm-40 -65.83 -31.07 71.82 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.56 -178.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -68.25 -49.48 60.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.643 0.258 . . . . 0.0 110.355 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.3 mt -58.08 -49.26 77.54 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.399 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.58 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 9.2 ptmm? -64.58 -22.38 66.96 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -177.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.635 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -84.22 -45.35 6.26 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.319 -0.944 . . . . 0.0 111.196 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.532 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 20.6 tp10 -64.01 -29.83 70.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.495 0.664 . . . . 0.0 109.762 177.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 tp -75.25 -40.35 58.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.625 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -72.9 -14.11 61.41 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.948 0.404 . . . . 0.0 110.86 -179.459 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 50.9 mtpt -65.8 -28.53 69.08 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.68 0.753 . . . . 0.0 109.962 169.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.406 HD11 HG12 ' A' ' 71' ' ' VAL . 56.5 mt -84.8 144.9 8.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.973 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -66.91 147.6 53.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.843 0.354 . . . . 0.0 110.702 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 79.7 m-85 -64.2 -26.85 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -172.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -95.69 -4.25 44.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.035 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -93.25 -32.4 14.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.103 0.478 . . . . 0.0 110.319 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.3 pp -73.4 164.94 57.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.793 178.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.556 ' HD2' HD12 ' A' ' 49' ' ' LEU . 97.7 Cg_exo -46.83 147.11 5.0 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.461 2.774 . . . . 0.0 113.704 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -43.58 96.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.49 -176.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.67 -38.73 75.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.56 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.636 ' HB2' HD13 ' A' ' 45' ' ' LEU . 31.4 mt -70.34 -29.94 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.243 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 42' ' ' PHE . 78.3 mt-30 -64.1 -35.06 79.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.321 177.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 31.6 mmtp -81.89 -21.15 37.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 95.5 mt -76.21 105.75 7.43 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -69.79 -21.37 63.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.25 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.8 p -103.05 130.05 50.04 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.048 0.451 . . . . 0.0 110.607 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.601 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 36.8 tp -61.98 -46.59 91.98 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.855 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.5 Cg_endo -53.09 -36.02 74.86 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.261 1.974 . . . . 0.0 113.054 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.86 -36.6 78.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 110.965 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.467 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 74.5 mt-30 -60.94 -50.15 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.965 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.427 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -67.25 -34.56 77.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.835 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -66.12 -40.05 90.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.653 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -62.86 -36.9 84.8 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.681 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 96.4 mt -58.9 -51.77 68.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.585 175.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.01 -39.45 85.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.284 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.38 -67.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.627 -175.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.2 47.17 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.681 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 45.9 m -117.52 -177.73 3.3 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.979 178.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.5 p -102.91 -147.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.543 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -94.14 161.76 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 111.137 -173.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.4 tp -118.21 113.98 22.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.286 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.24 129.36 34.56 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.516 HG11 ' HG3' ' A' ' 36' ' ' GLU . 17.0 m -130.15 15.61 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.26 0.466 . . . . 0.0 112.26 -171.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.51 -155.18 52.89 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.792 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 58.9 16.48 4.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 122.923 0.489 . . . . 0.0 111.52 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.21 18.31 79.76 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.424 -177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HE3' HG21 ' A' ' 71' ' ' VAL . 57.5 pttt -130.51 148.17 52.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.301 0.572 . . . . 0.0 111.03 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.86 131.03 56.98 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.404 HD22 ' HG2' ' A' ' 36' ' ' GLU . 48.3 tp -91.29 110.97 22.27 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -120.44 141.65 49.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.619 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.401 ' HZ2' ' HB3' ' A' ' 62' ' ' LEU . 37.2 p90 -147.87 139.85 24.11 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -133.43 129.44 37.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.15 0.5 . . . . 0.0 110.349 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.12 134.72 44.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.064 -177.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.9 m -123.51 104.17 13.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.249 0.547 . . . . 0.0 110.107 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -80.54 121.48 25.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.771 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.19 0.72 50.9 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 55.19 52.0 12.33 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.995 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -83.8 87.6 7.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.789 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.0 128.36 36.59 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 126.01 28.01 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.336 0.588 . . . . 0.0 112.312 -171.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -86.74 115.75 24.38 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 171.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -60.19 101.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.491 0.662 . . . . 0.0 111.041 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.478 ' O ' ' HB3' ' A' ' 92' ' ' HIS . 23.2 t-80 -160.27 -179.78 8.01 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.478 ' HB3' ' O ' ' A' ' 91' ' ' HIS . 42.3 t-80 71.82 90.52 0.09 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.467 0.651 . . . . 0.0 109.671 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -115.86 -176.37 2.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.67 -176.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.9 p80 . . . . . 0 C--O 1.246 0.911 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.277 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -72.48 74.87 2.58 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.82 2.347 . . . . 0.0 111.509 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -75.41 163.03 70.3 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.551 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.92 -178.65 0.79 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.214 2.61 . . . . 0.0 113.452 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.584 HD12 ' HB3' ' A' ' 7' ' ' TYR . 2.2 pt? -63.26 164.17 9.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.186 -179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 6' ' ' MET . 48.8 ttp -84.11 39.5 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.031 0.919 . . . . 0.0 109.221 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.584 ' HB3' HD12 ' A' ' 5' ' ' LEU . 44.0 t80 -157.33 -166.67 2.1 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 -176.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -150.43 116.28 5.57 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.513 ' OE1' ' HB ' ' A' ' 26' ' ' THR . 24.7 mm-40 -75.57 143.59 42.31 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.949 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -74.46 152.73 39.4 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -106.12 116.88 32.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.68 0.752 . . . . 0.0 109.344 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -100.56 132.11 46.12 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.311 -174.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.4 t -86.43 104.61 13.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 29' ' ' LEU . 61.0 t -111.35 134.47 53.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.338 -176.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.6 mt -117.04 128.19 54.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.033 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -116.71 159.58 22.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.386 0.612 . . . . 0.0 111.773 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.56 ' HB ' ' HB2' ' A' ' 75' ' ' LYS . 26.7 m -70.68 -50.14 39.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.867 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.42 -47.94 65.93 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.787 -169.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.454 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 71.2 mt-30 -134.8 146.51 59.15 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 19' ' ' GLN . 8.2 Cg_exo -72.26 127.06 12.27 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.566 2.178 . . . . 0.0 111.581 177.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -121.59 157.58 30.45 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -110.37 -66.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.108 -177.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -158.0 153.82 26.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.808 -177.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 24' ' ' LEU . 1.8 pt? -151.52 163.14 39.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.484 176.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p -79.99 167.74 20.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.317 0.579 . . . . 0.0 112.031 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.513 ' HB ' ' OE1' ' A' ' 9' ' ' GLN . 10.9 m -49.07 -43.66 41.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.873 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 49.0 mm -67.3 -40.11 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.51 -40.59 70.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.783 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 14' ' ' VAL . 45.7 tp -62.13 -37.04 83.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.018 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 18.3 mt -54.42 -58.07 8.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.456 173.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.504 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 4.4 mm-40 -56.87 -40.02 75.42 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.072 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -65.02 -47.74 76.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.826 0.346 . . . . 0.0 110.688 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.2 mt -67.41 -48.24 67.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.866 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 10.0 ptmm? -64.52 -26.72 68.55 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.28 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.533 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -71.71 -44.55 48.17 Favored Glycine 0 C--O 1.238 0.362 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.006 177.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 27.4 mt-10 -80.48 -18.64 48.03 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.961 -0.729 . . . . 0.0 110.385 179.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -76.49 -37.97 55.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.629 174.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 12.4 pt-20 -70.66 -30.93 67.68 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.911 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.604 ' HG2' ' HA ' ' A' ' 36' ' ' GLU . 7.8 ptpp? -79.7 -12.36 59.81 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.005 175.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -81.89 143.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.53 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 m -68.61 144.02 54.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.066 0.46 . . . . 0.0 111.228 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -68.83 -16.72 63.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.595 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 p -90.53 -5.2 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.295 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.8 -27.57 8.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.619 -174.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.0 pp -72.86 154.37 91.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 176.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HD2' HD12 ' A' ' 49' ' ' LEU . 71.9 Cg_exo -51.19 147.84 19.69 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.188 2.592 . . . . 0.0 113.606 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.81 -33.26 72.74 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.289 -176.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 47.9 mt-10 -57.55 -38.09 74.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.918 0.39 . . . . 0.0 110.498 177.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.593 ' HB2' HD13 ' A' ' 45' ' ' LEU . 24.5 mt -73.24 -31.55 64.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.274 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -63.94 -29.15 70.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.523 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -83.08 -28.02 29.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.869 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 93.2 mt -74.99 109.15 8.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.134 0.493 . . . . 0.0 110.721 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.46 -28.55 67.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.261 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 m -94.97 130.02 41.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.933 0.397 . . . . 0.0 111.202 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.557 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 40.6 tp -61.39 -47.7 92.98 Favored Pre-proline 0 CA--C 1.542 0.663 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.975 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.4 Cg_endo -56.06 -38.32 94.97 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.123 1.882 . . . . 0.0 112.617 177.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.0 94.61 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.918 0.39 . . . . 0.0 110.833 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 55' ' ' LEU . 46.3 mt-30 -60.83 -50.41 73.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.027 177.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.95 89.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -65.6 -41.39 92.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.059 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -55.7 -38.49 69.76 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.074 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.0 mt -63.2 -58.25 7.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.079 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.524 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 89.5 mt -49.79 -37.71 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.612 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.24 -55.22 6.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.58 -172.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.1 t -144.1 -0.37 1.01 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.534 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 39.5 m -125.26 124.8 42.45 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.396 -0.815 . . . . 0.0 112.14 -175.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 67.3 m -131.52 100.12 5.04 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.947 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 67' ' ' CYS . 7.6 mm-40 -173.91 118.28 0.26 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.159 175.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.6 tp -151.96 110.77 3.83 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.267 0.556 . . . . 0.0 111.382 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.412 ' HA ' ' CE1' ' A' ' 76' ' ' TYR . 20.7 t70 -88.55 95.5 10.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.119 173.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.478 HG21 ' HE3' ' A' ' 75' ' ' LYS . 30.2 m -87.32 -19.39 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.587 -175.276 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 73.72 -151.99 45.33 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.032 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 60.68 13.28 4.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.773 0.429 . . . . 0.0 111.896 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.67 5.03 88.64 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.757 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HB2' ' HB ' ' A' ' 17' ' ' THR . 48.1 pttt -121.14 168.97 10.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.367 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.412 ' CE1' ' HA ' ' A' ' 70' ' ' ASP . 5.8 m-85 -137.46 139.88 40.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.529 173.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 tp -115.97 128.3 55.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.381 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -153.26 159.23 42.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.93 174.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.524 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 24.3 p90 -144.87 136.72 25.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.083 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -101.87 98.29 8.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.769 0.795 . . . . 0.0 109.707 173.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.48 118.29 12.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.388 -175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.0 m -110.02 104.4 17.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.361 0.601 . . . . 0.0 110.537 177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 84' ' ' LEU . 90.8 mtt180 -90.14 126.64 35.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.851 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 83' ' ' ARG . 9.7 mp 72.18 -63.8 0.41 Allowed 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.622 0.576 . . . . 0.0 111.549 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 68.45 -64.54 0.3 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.752 0.821 . . . . 0.0 111.627 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -80.86 153.54 27.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.011 -173.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 56.0 tp -71.93 129.57 38.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.417 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 1.6 mp0 -59.6 118.06 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.212 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.446 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 16.1 t60 -83.42 -27.56 29.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.245 -179.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 89' ' ' HIS . 48.7 m-70 70.4 166.53 0.29 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.936 0.773 . . . . 0.0 111.218 -177.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.0 t60 71.76 10.22 6.3 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.417 172.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 64.02 -174.37 0.16 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.243 0.544 . . . . 0.0 111.16 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -150.93 145.41 25.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.738 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.5 m170 . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.247 -0.882 . . . . 0.0 109.927 176.717 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -84.36 120.3 2.48 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.076 2.517 . . . . 0.0 111.779 178.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -99.11 108.12 47.93 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.311 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -84.64 158.13 12.25 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.501 2.134 . . . . 0.0 112.762 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.59 ' H ' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -92.12 -20.82 20.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.362 -178.468 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.3 mtt 70.6 -53.43 0.66 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.645 0.778 . . . . 0.0 112.292 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -65.12 -49.09 71.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.922 0.391 . . . . 0.0 111.4 -173.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -73.87 110.3 8.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.359 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.5 pm0 -88.52 169.45 11.74 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.991 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.01 -179.15 5.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.8 0.334 . . . . 0.0 111.053 -178.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 19.8 p30 -142.1 152.26 43.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.089 0.471 . . . . 0.0 110.998 -178.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -130.37 153.9 48.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.372 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -89.37 117.28 32.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.321 0.581 . . . . 0.0 109.714 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -99.71 120.39 49.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.778 -174.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt -107.08 116.2 31.52 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.334 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -130.2 157.46 42.42 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' ' 75' ' ' LYS . 32.6 m -67.82 -29.29 68.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.255 -178.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -98.54 -49.32 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.393 -176.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 48.8 mt-30 -85.23 145.66 43.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.766 0.317 . . . . 0.0 110.923 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 19' ' ' GLN . 29.4 Cg_exo -62.9 157.71 46.91 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.766 2.311 . . . . 0.0 111.893 174.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' A' ' 21' ' ' GLU . 6.9 pt-20 -61.65 103.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.41 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -123.22 165.31 17.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.243 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -118.61 131.97 56.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.943 0.402 . . . . 0.0 109.983 176.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 pp -138.19 163.22 32.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.623 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -80.64 169.3 17.82 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.191 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.47 -53.55 36.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.75 -175.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 mm -59.79 -41.56 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.272 0.558 . . . . 0.0 110.896 -175.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -60.75 -44.02 97.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.427 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.1 tp -68.04 -36.84 80.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.216 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.2 mt -55.44 -57.45 11.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.191 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.48 -29.59 70.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.416 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -67.9 -50.44 56.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.74 -45.15 94.05 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.36 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -51.66 -46.46 63.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.54 -44.73 57.09 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.807 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' HD13 ' A' ' 40' ' ' ILE . 44.5 mt-10 -75.55 -19.08 59.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.977 0.418 . . . . 0.0 110.942 -177.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' A' ' 58' ' ' GLN . 60.9 tp -81.27 -42.57 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.827 176.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.39 -24.5 64.78 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.247 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HD3' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -83.13 -10.76 58.48 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.805 175.71 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.583 HG22 HD23 ' A' ' 45' ' ' LEU . 1.1 mp -81.86 141.91 14.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 m -70.35 143.25 52.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.73 0.3 . . . . 0.0 110.835 -177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.516 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 88.2 m-85 -65.35 -20.33 66.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.173 0.511 . . . . 0.0 110.701 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -75.9 -17.08 59.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.77 177.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -103.25 -33.17 9.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.933 -174.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.583 HD23 HG22 ' A' ' 40' ' ' ILE . 3.9 pp -78.17 147.82 73.59 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.406 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.589 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 19.6 Cg_endo -58.4 156.05 32.81 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 123.049 2.499 . . . . 0.0 113.411 -176.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.437 ' HG ' ' HE2' ' A' ' 51' ' ' LYS . 64.7 tp -61.5 -27.89 68.91 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.225 -177.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -57.03 -42.6 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.589 ' HG ' ' HG2' ' A' ' 46' ' ' PRO . 44.8 mt -75.48 -27.31 58.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.276 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -67.92 -29.95 69.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.589 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.437 ' HE2' ' HG ' ' A' ' 47' ' ' LEU . 68.1 mttm -81.61 -33.62 31.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.948 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.34 111.64 3.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.15 0.5 . . . . 0.0 110.246 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -73.29 -15.31 61.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.321 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 p -111.13 128.49 55.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.095 0.474 . . . . 0.0 111.388 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.591 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 54.0 tp -57.53 -46.9 99.74 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.939 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.3 Cg_endo -53.41 -41.91 69.5 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.304 2.003 . . . . 0.0 112.824 176.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.01 81.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.64 0.257 . . . . 0.0 110.856 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' HB3' HD21 ' A' ' 37' ' ' LEU . 80.2 mt-30 -59.54 -54.78 42.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.459 176.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.82 -37.8 88.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.047 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.24 -42.83 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.558 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 37.3 t60 -67.74 -32.39 72.97 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.19 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 59' ' ' ALA . 92.4 mt -59.18 -46.37 88.57 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 173.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.7 mt -61.63 -37.32 77.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.994 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.558 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 57.5 m-20 -59.28 -39.03 81.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.064 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 66' ' ' SER . 1.8 t -106.76 -79.03 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.806 -0.357 . . . . 0.0 111.513 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.731 ' H ' HG23 ' A' ' 65' ' ' THR . 18.0 m 162.28 173.37 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.199 1.4 . . . . 0.0 108.184 -171.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.421 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 48.1 t 179.72 154.0 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -110.41 117.5 33.76 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.1 tp -118.0 116.34 26.7 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.835 -170.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -81.29 115.69 20.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 169.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 75' ' ' LYS . 12.6 m -85.88 7.36 2.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.906 0.384 . . . . 0.0 111.772 -172.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.01 -36.55 3.79 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.018 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.45 21.85 2.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.878 0.37 . . . . 0.0 111.384 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.34 -3.43 77.71 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.365 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . 39.9 mtmt -89.38 137.72 32.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -111.6 120.78 43.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.958 0.408 . . . . 0.0 110.031 178.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -89.32 117.02 27.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.411 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -129.3 141.03 51.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.899 178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.421 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 9.5 p90 -149.6 148.12 28.95 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -142.05 153.44 44.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 170.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.77 134.93 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.705 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.7 m -103.7 104.34 16.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.433 0.635 . . . . 0.0 110.731 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -132.1 121.81 24.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.989 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.769 ' HB2' ' HA ' ' A' ' 87' ' ' LEU . 1.6 pt? -101.46 -36.1 8.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.309 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 62.06 -83.28 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.874 0.734 . . . . 0.0 110.628 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 50.4 mttm -108.76 28.86 7.99 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.769 ' HA ' ' HB2' ' A' ' 84' ' ' LEU . 8.4 mp 70.52 -57.27 0.58 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -165.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -71.22 113.04 7.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 169.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -108.29 28.61 8.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.581 0.705 . . . . 0.0 109.646 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -64.89 -34.76 79.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.478 -1.237 . . . . 0.0 112.31 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -60.03 -38.02 81.49 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.679 -174.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 47.71 -93.77 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.147 0.579 . . . . 0.0 111.62 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 34.5 m170 59.97 -171.33 0.13 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.251 0.548 . . . . 0.0 111.715 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.239 -0.886 . . . . 0.0 109.294 172.612 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.683 0.278 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.62 92.38 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.284 1.989 . . . . 0.0 112.341 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.05 124.54 82.9 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.529 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -81.9 19.58 1.21 Allowed 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.184 2.589 . . . . 0.0 113.711 -174.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -151.13 143.63 24.27 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 79.9 mmm -84.75 -33.88 22.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.946 0.403 . . . . 0.0 110.698 -176.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.36 97.7 7.72 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -36.7 84.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.971 -173.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.464 ' HG2' HG12 ' A' ' 27' ' ' ILE . 47.6 mt-30 -106.92 141.12 38.64 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.49 0.662 . . . . 0.0 112.404 -170.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.496 ' O ' ' HA ' ' A' ' 25' ' ' THR . 5.2 t70 -115.52 -173.49 2.34 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 169.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.51 129.1 56.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.587 0.708 . . . . 0.0 111.451 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -128.44 134.78 48.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.839 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . 7.6 p -86.68 119.78 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.442 0.639 . . . . 0.0 109.744 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' A' ' 29' ' ' LEU . 58.2 t -107.31 114.87 47.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.727 -175.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.1 mt -91.36 101.99 14.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.733 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' O ' ' A' ' 19' ' ' GLN . 1.2 tm-20 -104.17 157.93 16.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.737 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -86.85 -45.46 10.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.743 0.306 . . . . 0.0 111.179 -174.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -79.49 -51.88 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.056 0.455 . . . . 0.0 110.781 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.481 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 87.1 mm-40 -109.29 102.26 48.58 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.35 127.2 16.95 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.067 1.845 . . . . 0.0 110.351 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -137.81 162.88 32.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.77 0.319 . . . . 0.0 110.427 -173.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -96.27 -141.88 0.27 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.984 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.559 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 29.0 p90 -91.04 126.83 36.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.041 0.448 . . . . 0.0 110.944 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.32 172.57 7.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.803 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 9.9 p -81.79 161.55 23.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.205 0.526 . . . . 0.0 112.299 -174.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.6 m -53.93 -44.63 70.77 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.111 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.464 HG12 ' HG2' ' A' ' 9' ' ' GLN . 38.2 mm -67.05 -39.36 83.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.95 0.405 . . . . 0.0 110.809 -177.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.09 -41.06 95.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.959 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.429 HD13 ' CG2' ' A' ' 14' ' ' VAL . 38.6 tp -63.51 -41.67 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.459 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -56.61 -51.51 68.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.495 -179.465 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.44 -34.09 77.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.585 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 26.9 mtpp -62.48 -49.77 74.07 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 173.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 33' ' ' LEU . 45.3 mt -60.42 -42.51 96.17 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.232 178.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 56.4 mtpt -55.72 -53.13 60.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.622 0.249 . . . . 0.0 110.584 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.34 -43.22 95.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.495 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.563 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -71.22 -19.57 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.677 0.275 . . . . 0.0 111.388 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 tp -86.33 -39.1 16.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.635 0.255 . . . . 0.0 110.933 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.527 ' HB3' HD21 ' A' ' 55' ' ' LEU . 13.0 pt-20 -73.41 -20.0 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.637 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -80.02 -5.11 55.18 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.542 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.563 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.7 mp -99.13 145.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 172.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 22.9 t -56.22 133.8 52.68 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.245 0.545 . . . . 0.0 110.957 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -69.59 -19.08 63.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.893 -175.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.1 p -93.88 -8.33 40.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 3.8 m-20 -115.62 -9.65 11.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.861 -172.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.1 pp -68.07 158.16 84.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.51 175.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.56 ' HD2' HD12 ' A' ' 49' ' ' LEU . 84.5 Cg_exo -44.06 143.38 3.32 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.559 2.839 . . . . 0.0 114.233 -175.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.31 -29.93 67.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.983 -176.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.2 -35.2 79.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.401 0.62 . . . . 0.0 110.672 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.657 ' HB2' HD13 ' A' ' 45' ' ' LEU . 28.9 mt -75.83 -20.5 58.12 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.683 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -76.81 -25.57 53.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.177 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -72.32 -34.83 68.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.244 0.545 . . . . 0.0 110.023 174.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.491 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 43.1 mt -79.7 137.68 37.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.266 175.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -85.08 -37.78 19.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.955 0.407 . . . . 0.0 111.209 -173.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 8.7 t -102.7 144.25 31.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -173.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 38' ' ' GLU . 25.5 tp -62.79 -50.46 77.53 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.243 -177.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.9 Cg_endo -55.32 -39.22 92.19 Favored 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 122.102 1.868 . . . . 0.0 112.26 177.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.38 83.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.397 . . . . 0.0 110.687 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB3' HD22 ' A' ' 49' ' ' LEU . 78.3 mt-30 -62.24 -51.56 67.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.655 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.53 86.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.26 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -45.64 83.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.193 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -62.45 -26.53 68.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.8 -50.72 67.87 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.2 mt -56.03 -32.46 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.528 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -68.98 -70.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.73 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -103.74 -41.28 5.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 m -127.46 124.99 39.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -164.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.417 ' HA ' ' CZ2' ' A' ' 79' ' ' TRP . 13.8 p -114.48 101.24 8.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.423 . . . . 0.0 109.895 175.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.6 125.17 0.38 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.185 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.0 tp -167.67 131.82 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.608 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 2.1 p30 -110.33 148.05 32.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 168.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.517 ' HA ' HD11 ' A' ' 40' ' ' ILE . 27.0 m -119.92 19.6 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.831 -171.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.68 -172.2 32.45 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.247 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.02 97.93 5.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.965 0.412 . . . . 0.0 110.705 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.22 3.15 56.73 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.698 -0.683 . . . . 0.0 113.02 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -131.74 140.98 49.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.228 0.537 . . . . 0.0 111.059 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 70' ' ' ASP . 35.9 p90 -137.94 170.27 16.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.784 -175.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.536 HD22 ' HG2' ' A' ' 36' ' ' GLU . 31.9 tp -136.6 112.22 9.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.588 177.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -132.06 139.74 48.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.021 0.438 . . . . 0.0 111.121 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.417 ' CZ2' ' HA ' ' A' ' 67' ' ' CYS . 18.3 p90 -135.85 146.81 47.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.691 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -140.25 151.2 44.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.857 0.36 . . . . 0.0 110.467 175.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.18 118.11 15.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.565 -174.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 m -104.9 105.23 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.499 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -112.74 120.14 40.48 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.357 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.6 tp -81.61 56.45 2.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.192 0.52 . . . . 0.0 110.813 -174.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -168.32 144.0 3.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.284 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.545 ' O ' ' HD2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -138.65 89.68 2.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.847 175.204 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.878 HD23 ' H ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -64.06 -93.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.74 -177.833 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.763 ' H ' ' HG ' ' A' ' 87' ' ' LEU . 36.3 mm-40 52.63 -166.53 0.06 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.219 0.533 . . . . 0.0 111.68 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.5 m80 61.0 18.81 9.28 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.464 167.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -82.63 61.53 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.568 0.699 . . . . 0.0 110.636 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -161.52 -176.02 5.1 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -78.08 89.08 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.704 -0.799 . . . . 0.0 108.844 169.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -57.29 -37.46 72.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.283 -174.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.407 178.373 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.442 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 24.3 ttt . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.614 0.245 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 17.5 Cg_exo -67.38 140.09 51.66 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.566 2.177 . . . . 0.0 111.369 175.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.428 ' HB3' ' HD2' ' A' ' 4' ' ' PRO . 10.9 m-20 -78.83 165.43 49.39 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.619 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 3' ' ' ASP . 74.0 Cg_exo -49.75 163.6 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.344 2.696 . . . . 0.0 113.585 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.793 HD23 ' H ' ' A' ' 5' ' ' LEU . 1.4 pt? -77.32 20.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.652 -173.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.477 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 23.7 ttt 75.12 -43.21 0.5 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.55 0.74 . . . . 0.0 110.601 -178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -90.22 -143.44 0.16 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 173.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -168.63 -50.51 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.517 ' HB2' ' HB ' ' A' ' 26' ' ' THR . 19.4 pm0 -72.76 148.81 44.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.433 172.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.11 -177.37 6.42 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.972 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -121.25 134.32 55.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.444 0.64 . . . . 0.0 110.826 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.594 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 9.4 m-85 -109.03 138.11 45.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.939 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.8 m -89.63 100.08 10.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 172.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.446 HG21 HD13 ' A' ' 29' ' ' LEU . 91.4 t -92.72 114.07 28.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.699 -174.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.8 mt -97.99 110.69 23.22 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.334 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -116.63 155.13 29.3 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.506 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -54.61 -30.9 56.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.898 0.38 . . . . 0.0 111.658 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -109.6 3.92 21.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.024 0.44 . . . . 0.0 110.979 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -154.73 83.49 3.95 Favored Pre-proline 0 C--N 1.328 -0.343 0 O-C-N 122.098 -0.376 . . . . 0.0 111.772 -176.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -87.61 163.84 7.88 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.742 2.295 . . . . 0.0 112.379 173.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 64.27 21.27 12.47 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 167.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 22' ' ' GLN . 6.0 tp60 -113.85 134.25 54.91 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.674 -0.641 . . . . 0.0 111.291 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -113.75 143.27 44.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.998 177.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -146.78 159.77 43.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.886 178.721 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.464 ' HB ' ' HG3' ' A' ' 9' ' ' GLN . 35.7 p -76.78 162.35 27.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.805 0.336 . . . . 0.0 111.621 -176.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 9' ' ' GLN . 5.4 m -50.82 -41.51 57.58 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.198 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.4 -43.73 97.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.749 0.309 . . . . 0.0 110.629 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.48 -43.15 98.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.491 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.446 HD13 HG21 ' A' ' 14' ' ' VAL . 65.4 tp -63.92 -39.06 93.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.758 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.498 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -58.4 -49.95 75.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.73 -33.17 70.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.746 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HG2' ' OE1' ' A' ' 36' ' ' GLU . 64.5 tttm -64.12 -52.5 58.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.908 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.7 mt -56.36 -44.49 80.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.243 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 8.3 mtmp? -55.51 -49.93 71.28 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.321 -178.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.28 -43.97 97.68 Favored Glycine 0 C--O 1.235 0.217 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 48.2 mt-10 -71.38 -33.03 69.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.743 0.306 . . . . 0.0 110.682 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.9 tp -72.55 -42.72 64.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.952 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.51 -20.71 62.01 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.454 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 19.7 pttp -89.9 3.59 52.55 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.981 0.42 . . . . 0.0 110.398 175.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mp -93.15 145.52 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.407 ' HB2' ' OD1' ' A' ' 44' ' ' ASP . 21.5 m -68.39 137.31 54.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.675 0.274 . . . . 0.0 110.341 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -57.98 -27.62 63.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.425 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 m -67.14 -27.54 67.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.224 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.407 ' OD1' ' HB2' ' A' ' 41' ' ' SER . 5.3 m-20 -86.96 -34.94 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.803 -174.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 pp -76.43 151.03 82.96 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.557 0.218 . . . . 0.0 111.166 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.586 ' HD2' HD12 ' A' ' 49' ' ' LEU . 93.0 Cg_exo -45.94 148.8 2.54 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.967 3.112 . . . . 0.0 114.22 -178.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.8 -38.23 87.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.529 -176.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -66.22 -30.21 70.62 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.632 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.586 HD12 ' HD2' ' A' ' 46' ' ' PRO . 36.9 mt -73.42 -28.23 61.87 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 176.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.39 -29.06 68.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.055 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -76.71 -32.74 58.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.568 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.65 109.42 9.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.604 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -76.2 -20.44 57.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.878 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -90.92 125.62 35.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.221 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.575 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 19.6 tp -63.9 -47.86 79.85 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.635 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 15.1 Cg_endo -56.31 -34.27 93.48 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.179 1.919 . . . . 0.0 112.319 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.47 92.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.706 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -64.8 -49.88 68.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.404 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.35 96.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.957 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.469 ' HG2' HD21 ' A' ' 30' ' ' LEU . 3.7 mm100 -60.77 -43.74 97.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 176.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -55.97 -46.4 78.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.182 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -55.22 -53.73 52.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.826 178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.588 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 80.7 mt -55.04 -39.7 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.706 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -84.43 -16.75 41.52 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -174.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.7 p -105.23 -63.87 1.19 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 m -154.47 159.78 41.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.879 0.371 . . . . 0.0 111.839 -172.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 78' ' ' GLN . 11.7 t -102.53 104.08 14.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.892 175.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -171.64 117.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.701 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.4 tp -166.76 135.34 2.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.881 0.372 . . . . 0.0 110.661 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -98.1 112.83 24.65 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 172.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.507 HG23 ' HB2' ' A' ' 75' ' ' LYS . 18.9 m -91.3 19.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.855 0.36 . . . . 0.0 111.715 -172.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 74.15 174.82 31.73 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.351 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.89 14.93 8.74 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.042 0.537 . . . . 0.0 111.665 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.39 18.37 66.69 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.085 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HB2' HG23 ' A' ' 71' ' ' VAL . 43.7 mtmt -108.76 143.8 37.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.022 0.439 . . . . 0.0 110.776 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -108.59 157.63 18.32 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.4 tp -129.4 118.26 21.9 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.467 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.452 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 90.6 mt-30 -113.52 130.77 56.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.644 171.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.588 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 24.8 p90 -137.99 122.31 18.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.208 0.528 . . . . 0.0 109.902 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -141.34 131.95 25.53 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.188 0.518 . . . . 0.0 110.329 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . . . -75.71 135.07 40.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.777 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.1 m -82.97 101.65 7.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 122.112 0.958 . . . . 0.0 109.594 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -130.78 119.08 21.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.678 -1.146 . . . . 0.0 107.956 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.587 HD11 ' HA ' ' A' ' 88' ' ' GLU . 17.3 tp -152.14 -85.0 0.08 Allowed 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -175.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.424 ' H ' ' HB3' ' A' ' 84' ' ' LEU . 15.7 mm-40 42.59 -87.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 O-C-N 124.623 1.202 . . . . 0.0 112.79 173.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -55.38 -39.8 70.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.677 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 88' ' ' GLU . 38.9 tp -168.81 159.78 9.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.867 0.365 . . . . 0.0 111.432 -176.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.587 ' HA ' HD11 ' A' ' 84' ' ' LEU . 8.4 tp10 -73.27 164.54 26.52 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.566 172.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -49.15 120.68 4.16 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 176.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -82.93 73.34 9.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.319 0.581 . . . . 0.0 110.868 -172.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -124.84 138.44 54.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.484 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -137.24 20.19 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.868 0.366 . . . . 0.0 111.142 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -73.13 -31.4 64.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.588 170.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.861 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 27.2 ttt . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 119.729 -0.177 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.861 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 7.0 Cg_exo -74.77 -19.84 18.04 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.695 1.597 . . . . 0.0 110.443 174.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.55 123.15 72.64 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.855 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.02 -20.83 28.44 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.163 1.909 . . . . 0.0 111.801 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.8 tp -168.73 82.96 0.15 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.831 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.8 ttt -80.2 -30.16 38.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.256 0.55 . . . . 0.0 110.777 -177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -83.19 6.49 19.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.013 -176.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 62.82 -168.31 0.2 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.877 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.521 ' HG2' HG22 ' A' ' 25' ' ' THR . 34.3 tt0 -63.93 107.02 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.234 0.54 . . . . 0.0 109.869 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -112.24 176.99 4.79 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.539 -176.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -108.65 135.93 49.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.045 0.45 . . . . 0.0 110.891 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.11 134.45 53.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.959 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.9 t -87.75 107.33 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.541 HG21 HD13 ' A' ' 29' ' ' LEU . 43.4 t -100.89 104.24 15.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.073 0.463 . . . . 0.0 110.267 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' HB2' ' HE2' ' A' ' 80' ' ' TYR . 74.8 mt -93.13 102.24 14.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.522 ' HB3' ' HB2' ' A' ' 19' ' ' GLN . 26.1 tt0 -90.76 161.4 15.33 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 m -51.09 -34.1 28.88 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -120.08 9.28 11.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.522 ' HB2' ' HB3' ' A' ' 16' ' ' GLU . 3.6 mm-40 -123.76 100.78 37.08 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 121.1 0.476 . . . . 0.0 111.872 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -86.36 136.8 4.85 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 123.115 2.544 . . . . 0.0 113.187 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 60.43 32.51 20.6 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 174.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -89.23 91.82 8.93 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.826 175.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -98.83 134.49 41.63 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.456 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -140.58 163.16 33.6 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.05 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.521 HG22 ' HG2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -80.55 170.45 16.33 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.602 -173.565 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 m -51.65 -49.16 62.86 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -173.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 mm -67.11 -46.18 85.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.961 0.41 . . . . 0.0 111.297 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -63.05 -36.86 84.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.008 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.541 HD13 HG21 ' A' ' 14' ' ' VAL . 47.5 tp -66.51 -38.05 86.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.395 175.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -46.47 87.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.569 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 36.9 mt-10 -66.97 -35.49 80.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.587 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -67.15 -48.33 68.36 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.216 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 33' ' ' LEU . 29.3 mt -64.79 -39.07 93.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.624 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 14.1 ptmm? -66.18 -27.21 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.605 -178.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -75.08 -50.62 8.35 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.583 -0.817 . . . . 0.0 111.696 175.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.531 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -59.85 -39.76 86.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 177.691 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD22 HD11 ' A' ' 62' ' ' LEU . 58.3 tp -69.87 -41.32 74.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.444 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 15.7 pt-20 -71.89 -21.64 61.61 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.356 -175.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -88.43 -4.87 58.56 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.654 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.531 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -93.47 143.05 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 174.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.04 141.09 57.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.555 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 91.0 m-85 -63.39 -29.22 70.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.976 -178.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 p -71.31 -14.74 62.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.509 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.17 -39.31 10.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.449 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' A' ' 49' ' ' LEU . 4.0 pp -74.23 156.49 87.46 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.869 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.587 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 17.1 Cg_endo -58.41 149.55 73.71 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.034 2.489 . . . . 0.0 113.147 -177.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.52 -30.3 71.18 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.305 -173.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 52.6 mm-40 -60.04 -33.85 72.6 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.175 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.731 ' HB2' HD13 ' A' ' 45' ' ' LEU . 42.1 mt -70.33 -33.96 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.008 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.87 -27.31 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 110.506 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -80.24 -27.21 38.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.506 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 78.2 mt -77.02 123.53 26.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.189 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.27 -37.09 74.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.863 -174.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 28.2 m -100.37 137.9 38.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 -175.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.563 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -61.22 -47.6 93.98 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.472 176.382 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 7.4 Cg_endo -50.72 -39.75 56.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.008 1.806 . . . . 0.0 111.89 174.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -42.8 91.04 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.458 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.506 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 77.6 mt-30 -59.68 -55.52 33.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.212 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.525 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.3 -33.96 75.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.458 -176.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -64.56 -40.95 96.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.645 177.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -68.12 -29.59 68.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.667 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 49' ' ' LEU . 95.8 mt -61.78 -50.36 72.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.096 174.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.64 -38.74 79.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.756 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.87 -43.14 99.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.888 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.68 ' O ' ' HB2' ' A' ' 66' ' ' SER . 20.9 p -96.9 -81.53 0.42 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.68 ' HB2' ' O ' ' A' ' 65' ' ' THR . 1.9 t 149.91 169.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.281 1.432 . . . . 0.0 108.041 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.471 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 46.3 t -173.54 147.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.808 0.337 . . . . 0.0 110.489 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.82 117.08 31.33 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 172.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.3 tp -127.19 134.0 50.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.057 -170.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 3.4 p-10 -101.15 135.93 41.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 171.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.6 m -103.12 16.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.202 -173.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.63 145.21 16.14 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.768 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 75' ' ' LYS . . . 64.41 28.33 13.6 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.066 0.547 . . . . 0.0 111.65 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.2 0.2 90.06 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.115 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 73' ' ' ALA . 37.6 mtmm -83.69 128.52 34.59 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 70' ' ' ASP . 42.7 m-85 -107.99 147.98 30.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.251 0.548 . . . . 0.0 111.21 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.3 tp -118.24 124.93 49.07 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.797 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -137.51 130.23 30.05 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.471 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 29.0 p90 -108.12 128.99 55.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.211 0.529 . . . . 0.0 109.751 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.448 ' HE2' ' HB2' ' A' ' 15' ' ' LEU . 87.5 m-85 -102.35 110.44 22.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.651 -177.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.92 110.48 15.34 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 170.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.66 103.49 3.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.435 0.636 . . . . 0.0 110.568 -174.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.2 mtp-105 -107.97 120.34 42.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.773 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.7 tp -142.28 -62.67 0.44 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.175 0.512 . . . . 0.0 109.873 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -125.59 -166.98 1.62 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.915 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -77.47 -8.87 58.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.508 0.194 . . . . 0.0 110.958 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 92.4 mt 58.05 57.67 3.94 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.057 173.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 58.46 45.84 15.97 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.606 0.717 . . . . 0.0 110.708 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -81.99 -2.74 52.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.894 0.854 . . . . 0.0 108.719 175.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -76.13 119.39 19.99 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.601 174.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -67.0 143.04 57.01 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.411 0.624 . . . . 0.0 111.346 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -132.78 164.06 27.67 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.824 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -76.97 152.68 35.15 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.741 -174.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 . . . . . 0 C--O 1.247 0.922 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 171.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 25.5 ptt? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.576 0.226 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 8.3 Cg_exo -73.1 -63.99 0.03 OUTLIER 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.886 2.39 . . . . 0.0 112.261 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -109.49 150.15 40.79 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.805 -177.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -76.88 -27.22 7.27 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.879 2.386 . . . . 0.0 113.167 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.0 tp -101.85 54.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.394 0.616 . . . . 0.0 110.58 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.4 ptp -70.51 -4.0 20.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.249 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.466 ' HB3' ' HG3' ' A' ' 9' ' ' GLN . 65.4 m-85 -93.71 -45.37 7.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.678 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 58.25 28.3 16.42 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.174 -174.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.466 ' HG3' ' HB3' ' A' ' 7' ' ' TYR . 78.3 mt-30 -81.44 108.68 15.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.934 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -86.84 176.53 7.65 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -122.87 135.47 54.53 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.237 0.541 . . . . 0.0 110.413 -178.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 31.9 m-85 -125.21 136.0 53.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.104 -175.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -87.31 105.21 14.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.575 0.702 . . . . 0.0 109.999 177.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.466 HG21 HD12 ' A' ' 24' ' ' LEU . 72.0 t -88.0 133.18 31.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.141 -176.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.9 mt -119.39 107.2 13.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.505 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.85 152.05 23.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 m -64.37 -35.23 80.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.129 0.49 . . . . 0.0 110.034 174.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -72.83 -60.99 1.97 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.673 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -114.44 99.75 51.8 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -78.76 128.35 8.48 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.964 2.443 . . . . 0.0 112.808 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 70.62 95.81 0.07 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.392 173.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.488 ' HB2' ' OE1' ' A' ' 19' ' ' GLN . 8.6 tp-100 -141.6 121.09 13.25 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.28 171.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -84.03 115.47 22.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.155 0.502 . . . . 0.0 110.549 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.535 HD12 HD13 ' A' ' 29' ' ' LEU . 13.2 mt -113.31 149.06 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.824 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.18 175.15 9.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 170.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -54.69 -43.74 72.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -71.52 -46.94 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 110.862 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -57.36 -40.81 78.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.191 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.535 HD13 HD12 ' A' ' 24' ' ' LEU . 29.9 tp -72.85 -35.94 67.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.378 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 12.3 mt -55.64 -57.08 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.828 175.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.471 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 41.8 mt-10 -62.32 -30.42 71.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.354 -177.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -67.99 -48.5 65.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.901 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.87 -39.27 90.55 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.362 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 9.7 mtpm? -57.42 -44.48 84.64 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.498 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -73.76 -42.46 38.82 Favored Glycine 0 C--O 1.238 0.353 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.245 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -58.56 -43.89 89.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.881 -0.659 . . . . 0.0 109.938 177.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.2 tp -70.6 -42.23 71.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.894 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.0 pt-20 -69.01 -23.14 64.05 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.688 -174.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -92.89 2.08 56.96 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.245 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mp -86.15 145.57 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 170.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 m -59.3 128.17 35.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.843 0.354 . . . . 0.0 110.765 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -68.54 -16.96 64.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.985 0.422 . . . . 0.0 110.896 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -95.42 10.15 37.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.799 175.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -114.69 -33.33 5.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.693 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.0 pp -65.63 151.72 94.09 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.483 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.15 158.77 8.76 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.568 2.845 . . . . 0.0 113.546 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 50' ' ' GLN . 40.1 tp -66.9 -28.24 68.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.521 -176.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -51.41 -44.36 62.23 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.304 0.573 . . . . 0.0 110.633 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.693 ' HB2' HD13 ' A' ' 45' ' ' LEU . 37.4 mt -77.97 -21.07 51.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.425 -176.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' HB2' HD12 ' A' ' 47' ' ' LEU . 47.8 mt-30 -78.05 -25.05 47.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.011 178.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.69 -34.6 40.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.246 0.546 . . . . 0.0 109.835 175.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.0 mt -73.36 140.47 46.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.245 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -100.14 -27.98 13.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.038 -177.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -93.58 131.51 38.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.933 0.397 . . . . 0.0 111.041 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' HA ' HE21 ' A' ' 58' ' ' GLN . 52.8 tp -59.29 -45.62 99.14 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.502 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 31.4 Cg_exo -58.54 -40.17 76.56 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.817 1.678 . . . . 0.0 111.76 176.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.84 92.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.874 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.502 HE21 ' HA ' ' A' ' 55' ' ' LEU . 49.0 mt-30 -61.04 -49.94 75.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.559 177.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.25 94.73 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.147 0.499 . . . . 0.0 110.92 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.7 -41.11 98.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.394 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.539 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 71.8 t60 -67.06 -26.04 66.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.777 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 58' ' ' GLN . 96.7 mt -61.23 -62.57 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 173.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.6 mt -56.88 -35.19 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 110.397 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.539 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 23.2 t70 -60.16 -38.49 83.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.966 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.0 p -129.68 -66.22 0.81 Allowed 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -173.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.6 m -110.72 132.06 54.52 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -164.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.497 ' HA ' ' CZ2' ' A' ' 79' ' ' TRP . 43.8 t -101.64 102.25 12.91 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -172.55 118.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.445 -174.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD23 HD23 ' A' ' 77' ' ' LEU . 28.7 tp -166.37 110.69 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.194 0.521 . . . . 0.0 110.767 175.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -91.41 101.51 14.18 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.5 HG21 ' HE3' ' A' ' 75' ' ' LYS . 26.9 m -85.56 -1.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.847 -171.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.39 -161.56 54.19 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.357 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 60.95 12.0 3.65 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.776 0.43 . . . . 0.0 111.733 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.31 1.65 74.9 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.225 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HE3' HG21 ' A' ' 71' ' ' VAL . 53.3 pttt -119.92 158.8 25.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.212 0.506 . . . . 0.0 111.216 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -119.43 170.8 8.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.081 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.557 HD23 HD23 ' A' ' 69' ' ' LEU . 58.2 tp -135.8 119.46 17.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.762 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -127.07 138.45 53.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.797 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.497 ' CZ2' ' HA ' ' A' ' 67' ' ' CYS . 38.5 p90 -140.74 126.61 19.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.06 0.457 . . . . 0.0 110.577 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -140.93 150.65 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.999 0.428 . . . . 0.0 110.554 175.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . . . -84.5 142.86 29.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.438 -176.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 m -114.45 105.51 18.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.521 172.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.403 ' C ' HD12 ' A' ' 84' ' ' LEU . 3.8 mmp_? -85.11 119.3 25.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.963 -175.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 83' ' ' ARG . 7.0 mp -131.44 116.18 17.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.518 175.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -90.4 159.63 16.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -83.8 66.22 8.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.301 0.572 . . . . 0.0 110.238 177.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.509 HD23 ' H ' ' A' ' 87' ' ' LEU . 2.5 pt? -61.47 -33.62 74.07 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.759 178.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -112.56 102.5 10.59 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.669 174.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -90.73 -1.98 57.83 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -69.17 94.01 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.893 -1.048 . . . . 0.0 109.518 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -131.44 110.9 11.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -173.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -121.1 98.51 6.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.275 176.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -141.26 7.75 2.0 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.436 0.636 . . . . 0.0 109.482 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.25 177.447 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.4 pmm? . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 4.4 Cg_exo -78.41 -9.72 16.18 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.111 2.541 . . . . 0.0 111.567 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.473 ' HB3' ' SD ' ' A' ' 6' ' ' MET . 9.7 m-20 -64.14 122.14 75.91 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.23 178.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.22 -27.59 19.64 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 122.683 2.255 . . . . 0.0 112.595 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.9 tp -144.78 -99.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.311 -177.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 3' ' ' ASP . 1.3 mpt? 69.7 -50.23 0.62 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.621 0.769 . . . . 0.0 113.024 174.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -75.18 -5.51 44.8 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -97.88 5.65 48.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.217 0.532 . . . . 0.0 110.234 174.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.83 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 75.2 mt-30 -108.96 108.9 19.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.206 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.55 ' O ' ' HA ' ' A' ' 25' ' ' THR . 12.3 p-10 -87.43 171.42 10.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.797 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -106.74 140.62 39.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.327 0.584 . . . . 0.0 111.996 -171.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 81' ' ' ALA . 77.0 m-85 -122.24 136.94 54.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.652 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 79' ' ' TRP . 59.8 t -87.52 107.62 17.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -87.49 117.75 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.39 0.614 . . . . 0.0 110.998 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.2 mt -108.41 101.92 11.07 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.72 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.671 ' HB3' ' O ' ' A' ' 19' ' ' GLN . 5.6 tp10 -84.49 149.05 26.2 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 171.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' ' 75' ' ' LYS . 34.0 m -66.93 -41.19 87.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.973 0.416 . . . . 0.0 110.592 -176.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.442 ' H ' ' HG3' ' A' ' 16' ' ' GLU . 92.7 m-20 -75.46 -56.55 4.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.901 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.671 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 3.5 pm0 -139.71 128.32 13.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 0.0 110.568 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.79 129.88 16.1 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.067 1.844 . . . . 0.0 112.216 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -89.69 -171.29 3.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.377 . . . . 0.0 110.714 -177.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -84.15 -174.2 5.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.495 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -98.28 116.01 29.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.253 0.549 . . . . 0.0 109.673 173.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.02 166.84 11.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.512 -177.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.83 ' HB ' ' HB3' ' A' ' 9' ' ' GLN . 44.7 p -84.86 171.51 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -173.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.84 -51.24 30.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.923 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.562 HD13 ' HG2' ' A' ' 9' ' ' GLN . 1.5 mp -63.94 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.317 -176.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.75 -43.05 76.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.604 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.1 tp -64.2 -38.34 90.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.627 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.47 -51.91 67.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.496 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -67.36 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.031 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.86 -50.74 69.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.931 0.396 . . . . 0.0 110.161 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.19 -39.42 94.6 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.933 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -57.75 -43.79 85.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.179 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.86 -46.59 91.3 Favored Glycine 0 C--O 1.236 0.267 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.526 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.571 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 29.2 mm-40 -68.57 -32.61 72.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 tp -71.23 -38.72 71.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.795 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -74.66 -15.09 60.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.881 0.372 . . . . 0.0 110.129 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -82.96 -14.47 54.02 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.032 0.444 . . . . 0.0 110.245 173.328 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.502 HD12 ' HG2' ' A' ' 39' ' ' LYS . 1.4 mp -93.24 141.01 15.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.415 178.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.65 153.06 40.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.165 -179.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -68.09 -25.5 65.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.284 0.564 . . . . 0.0 110.952 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 p -86.35 0.86 53.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.138 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.37 -21.26 10.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.335 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -82.88 147.62 55.18 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.782 0.325 . . . . 0.0 111.119 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.514 ' HD2' HD12 ' A' ' 49' ' ' LEU . 52.7 Cg_exo -54.14 154.97 16.55 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.571 2.847 . . . . 0.0 113.45 -178.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.5 tp -61.63 -31.21 71.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.027 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -54.6 -41.12 69.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.309 0.576 . . . . 0.0 110.706 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.568 ' HB2' HD13 ' A' ' 45' ' ' LEU . 34.2 mt -75.26 -16.31 60.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.54 -176.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -83.69 -21.31 32.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.285 0.564 . . . . 0.0 110.145 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -82.11 -26.87 33.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.153 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 92.3 mt -87.41 106.79 18.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.503 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.42 -6.38 49.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.701 -174.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -112.95 124.28 52.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.599 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 34.4 tp -55.77 -49.37 93.21 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.945 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.6 Cg_endo -57.36 -37.5 97.4 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.931 1.754 . . . . 0.0 112.472 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.71 78.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.895 0.378 . . . . 0.0 110.793 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.552 ' HB3' HD22 ' A' ' 49' ' ' LEU . 78.9 mt-30 -60.58 -51.39 69.6 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.153 176.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -65.81 -33.17 75.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.113 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.5 tm0? -65.64 -43.29 89.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -55.94 -38.18 69.98 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.148 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' HB3' ' CZ2' ' A' ' 79' ' ' TRP . 93.7 mt -60.82 -58.88 6.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.035 175.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.449 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 90.8 mt -49.92 -41.45 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.303 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.37 -59.8 3.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 t -133.65 -22.18 1.92 Allowed 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -168.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.3 m -121.34 123.95 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.393 -0.817 . . . . 0.0 111.462 -172.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 61.8 m -126.63 101.92 6.86 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.481 -176.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -173.97 138.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.766 173.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.7 tp -159.6 111.22 2.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.905 0.383 . . . . 0.0 110.975 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -79.05 104.66 9.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.411 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.558 HG23 ' HE3' ' A' ' 75' ' ' LYS . 15.8 m -100.64 19.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.513 -174.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.574 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 115.49 140.42 7.07 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.525 172.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 62.42 16.56 8.72 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.15 5.39 73.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.802 -0.714 . . . . 0.0 113.249 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 51.4 pttt -91.42 143.84 26.2 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.463 176.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -116.24 133.7 55.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.016 -175.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.427 HD22 ' HG3' ' A' ' 36' ' ' GLU . 34.3 tp -87.54 112.63 22.45 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 173.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -115.47 157.68 23.64 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.463 -173.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.465 ' CZ2' ' HB3' ' A' ' 62' ' ' LEU . 29.0 p90 -160.46 147.62 15.88 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.684 0.278 . . . . 0.0 110.53 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -140.99 147.45 38.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.961 170.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.444 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -86.93 114.02 23.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.061 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 m -93.37 102.59 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.476 0.655 . . . . 0.0 109.908 175.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -116.75 163.96 15.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.845 -177.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 tt -72.66 83.87 1.16 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.885 0.374 . . . . 0.0 110.355 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.54 144.2 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.031 -0.986 . . . . 0.0 112.975 175.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -69.86 107.5 3.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.096 178.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 91.1 mt -89.87 -20.96 22.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.114 -176.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -87.94 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 61.0 18.43 8.91 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.117 0.485 . . . . 0.0 111.628 172.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -139.27 147.02 41.12 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -91.18 -35.97 14.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.626 0.251 . . . . 0.0 110.926 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -60.55 -48.44 81.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.048 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -100.26 -44.11 6.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.549 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 117.713 -1.137 . . . . 0.0 108.794 -168.012 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -89.43 -7.78 4.8 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 123.133 2.555 . . . . 0.0 113.23 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -132.04 118.99 16.57 Favored Pre-proline 0 C--N 1.327 -0.383 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.024 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.19 -177.53 3.31 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.012 2.474 . . . . 0.0 113.206 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.659 HD23 ' H ' ' A' ' 5' ' ' LEU . 2.6 pt? -82.06 -179.58 7.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.159 -178.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.1 ptm -82.7 41.46 0.73 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.715 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.3 t80 66.32 92.6 0.08 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.691 0.758 . . . . 0.0 112.462 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.61 37.58 0.82 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.994 171.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -59.18 127.19 30.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.074 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.526 ' OD2' ' HD2' ' A' ' 83' ' ' ARG . 2.7 m-20 -67.47 155.28 39.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.711 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -106.9 123.71 48.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.102 0.477 . . . . 0.0 110.36 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -113.55 134.05 54.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.92 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.532 HG22 ' HB3' ' A' ' 23' ' ' PHE . 80.9 t -88.64 107.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.1 t -92.36 115.39 31.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.939 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.7 mt -91.05 105.4 17.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.246 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -108.69 158.82 17.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.975 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.417 ' HB ' ' CB ' ' A' ' 75' ' ' LYS . 26.8 m -87.57 -10.74 50.73 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -172.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -81.53 -71.0 0.5 Allowed 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.013 -0.429 . . . . 0.0 111.725 -174.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -135.1 154.36 78.96 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.487 0.184 . . . . 0.0 110.727 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.52 127.72 20.58 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.184 1.922 . . . . 0.0 111.064 174.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -133.46 168.27 18.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.445 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -101.15 173.1 6.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.798 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.532 ' HB3' HG22 ' A' ' 13' ' ' VAL . 15.8 p90 -64.83 130.63 44.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.638 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -115.14 165.24 13.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.176 -178.747 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.1 p -82.7 170.47 15.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.684 0.278 . . . . 0.0 111.306 -175.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 m -52.04 -42.7 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.664 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 47.0 mm -64.45 -44.33 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.189 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 4.6 mm-40 -66.45 -38.17 86.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.277 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.83 -41.75 99.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.205 176.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 31.7 mt -53.86 -50.61 65.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.991 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.36 -39.39 94.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.271 -176.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -63.22 -48.98 75.99 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.878 176.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.33 -47.68 84.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.761 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -59.74 -42.42 93.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.632 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.69 -51.11 59.71 Favored Glycine 0 C--O 1.237 0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.561 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -68.48 -35.59 77.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.905 0.383 . . . . 0.0 110.237 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -67.08 -39.4 86.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.516 -177.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.46 -28.53 62.99 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.022 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.89 3.07 49.84 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.871 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.519 HG22 HD23 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -93.71 144.34 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 172.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.447 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 27.4 t -63.78 147.59 51.36 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.02 -21.74 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.548 -174.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.9 p -95.94 -6.03 40.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.155 0.502 . . . . 0.0 110.763 176.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 33.9 t70 -91.42 -25.05 19.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.143 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -88.7 151.39 47.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.75 177.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.524 ' HD2' HD12 ' A' ' 49' ' ' LEU . 52.0 Cg_exo -55.62 155.67 20.82 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.418 2.745 . . . . 0.0 113.597 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 56.6 tp -60.07 -30.26 69.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.194 -177.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -52.67 -45.49 66.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.43 0.633 . . . . 0.0 110.504 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.756 ' HB2' HD13 ' A' ' 45' ' ' LEU . 21.3 mt -80.85 -14.06 58.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.047 -175.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -80.76 -27.58 36.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.853 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 35.7 mmtp -78.41 -35.76 46.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.912 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 58' ' ' GLN . 76.1 mt -77.84 112.68 14.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.064 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.67 -43.31 94.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.417 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -96.1 126.17 41.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.535 -170.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.558 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 49.3 tp -52.18 -47.27 92.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.442 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.8 Cg_endo -53.53 -35.61 77.26 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 122.314 2.01 . . . . 0.0 112.611 176.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.76 -36.15 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.491 ' HB3' HD22 ' A' ' 49' ' ' LEU . 78.0 mt-30 -58.14 -54.8 42.83 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.624 178.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -66.5 -28.85 68.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.082 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.29 -40.48 81.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.29 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 31.2 t60 -68.67 -26.87 65.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.46 178.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.423 HD22 ' CB ' ' A' ' 67' ' ' CYS . 72.9 mt -60.15 -53.54 56.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 174.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.35 -33.67 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.236 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 12.3 t70 -55.76 -47.51 76.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.181 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.4 p -106.93 -76.54 0.61 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.416 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.9 p 162.37 163.23 0.02 OUTLIER 'General case' 0 C--O 1.232 0.182 0 C-N-CA 124.009 0.923 . . . . 0.0 108.947 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.498 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 45.9 t -171.26 144.07 1.97 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.933 0.396 . . . . 0.0 110.794 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -104.74 116.37 31.92 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.2 tp -125.49 124.25 40.95 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.726 -0.389 . . . . 0.0 111.691 -169.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.87 119.67 26.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 168.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.486 HG23 ' HG3' ' A' ' 75' ' ' LYS . 15.8 m -105.98 10.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -176.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 66.56 -166.8 38.28 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.987 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.05 17.32 10.04 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.985 0.514 . . . . 0.0 111.363 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.58 25.83 75.07 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.339 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 24.4 pttm -131.5 151.79 51.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.778 0.323 . . . . 0.0 110.486 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -110.57 159.58 17.42 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.4 tp -132.91 112.21 11.7 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.94 149.14 45.92 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.498 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 33.4 p90 -129.97 138.31 50.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.429 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -138.17 137.71 37.89 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 172.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.04 131.09 38.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.277 -175.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 m -111.09 103.69 15.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.507 0.67 . . . . 0.0 110.404 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.526 ' HD2' ' OD2' ' A' ' 10' ' ' ASP . 17.5 mtp180 -125.52 120.59 31.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.704 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.9 tp -111.46 -81.58 0.58 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.451 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 65.06 144.46 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 O-C-N 123.817 0.698 . . . . 0.0 110.659 -175.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 3.4 mppt? -70.2 131.83 44.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.0 mp -80.95 64.07 5.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.302 0.572 . . . . 0.0 110.702 -175.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' A' ' 89' ' ' HIS . 1.3 tm-20 -135.64 -133.56 0.15 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 176.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.496 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 73.5 m-70 58.77 27.34 15.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.795 0.331 . . . . 0.0 110.254 -177.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -65.71 -37.08 85.45 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -83.08 93.29 7.57 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 165.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -70.71 125.25 26.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.445 -170.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.4 t60 73.49 -62.72 0.46 Allowed 'General case' 0 N--CA 1.465 0.275 0 O-C-N 124.283 0.99 . . . . 0.0 110.478 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.687 -0.673 . . . . 0.0 109.373 178.885 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.562 ' HA ' ' OG1' ' A' ' 26' ' ' THR . 23.5 mt-30 . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 120.886 0.374 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.48 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.5 t70 -113.38 -160.06 0.71 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -105.98 116.2 31.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.245 0.545 . . . . 0.0 110.145 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' A' ' 81' ' ' ALA . 30.4 m-85 -104.44 127.2 52.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.687 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -86.59 100.12 9.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' A' ' 24' ' ' LEU . 86.0 t -94.07 123.62 46.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.827 -175.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.55 ' HB2' ' HG3' ' A' ' 78' ' ' GLN . 67.0 mt -101.28 102.27 13.11 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.108 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.323 -0.554 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 176.797 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 C--O 1.234 0.288 0 CA-C-O 121.105 0.479 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.531 HD21 ' HB ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -140.87 157.66 45.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.483 176.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 42.4 p -81.42 172.85 13.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.698 -176.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.562 ' OG1' ' HA ' ' A' ' 9' ' ' GLN . 2.0 m -54.88 -38.55 67.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.852 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.24 -40.73 78.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 0.0 110.747 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 36.9 mt-10 -66.35 -39.65 89.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.141 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.53 -44.15 95.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.216 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -54.97 -49.33 71.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.587 177.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.19 -39.77 76.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.99 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -68.2 -46.11 71.52 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.432 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.04 -52.46 62.72 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.862 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 9.8 ptmm? -60.61 -24.08 65.22 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.914 -0.491 . . . . 0.0 111.489 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -75.45 -49.09 9.59 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.29 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.481 ' OE1' HG12 ' A' ' 71' ' ' VAL . 2.7 pp20? -72.5 -36.01 68.28 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.04 -0.682 . . . . 0.0 110.445 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 tp -65.64 -36.31 83.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 9.6 pt-20 -69.3 -29.61 67.51 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.254 -0.579 . . . . 0.0 109.787 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 67.0 mttm -71.6 -40.48 69.83 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.524 173.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 71' ' ' VAL . 1.4 mp -59.16 134.96 24.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.146 175.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.6 t -58.09 135.48 57.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 50' ' ' GLN . 32.1 t80 -68.4 -17.7 64.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.916 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.9 m -94.74 5.75 50.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.357 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -115.63 -26.43 7.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.031 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.4 pp -78.54 160.9 71.48 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.475 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD2' HD12 ' A' ' 49' ' ' LEU . 72.3 Cg_exo -51.8 156.68 6.48 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.674 2.916 . . . . 0.0 113.84 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HA ' HE21 ' A' ' 50' ' ' GLN . 44.1 tp -70.17 -30.8 68.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.884 -174.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.28 -36.09 72.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.069 0.461 . . . . 0.0 110.394 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.714 ' HB2' HD13 ' A' ' 45' ' ' LEU . 37.6 mt -74.68 -23.24 58.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.293 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 51.9 mt-30 -80.13 -19.19 47.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.812 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -82.31 -30.25 30.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.231 0.538 . . . . 0.0 109.99 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.2 mt -76.3 143.51 40.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.933 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -105.82 -25.36 12.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.914 0.388 . . . . 0.0 110.537 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.6 m -90.93 136.17 33.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.977 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.558 ' HA ' HE21 ' A' ' 58' ' ' GLN . 62.1 tp -63.53 -50.72 71.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.29 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 12.4 Cg_endo -57.06 -34.66 98.11 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.015 1.81 . . . . 0.0 112.366 177.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.59 92.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.558 HE21 ' HA ' ' A' ' 55' ' ' LEU . 50.4 mt-30 -60.59 -55.96 27.03 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.617 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.68 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.012 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -63.53 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.672 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.574 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 65.4 t60 -71.82 -28.54 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.615 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 87.3 mt -61.78 -49.87 74.64 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.22 0.533 . . . . 0.0 110.03 173.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.56 -34.77 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.245 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.574 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 11.6 t70 -58.92 -58.71 7.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.19 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.8 t -162.34 77.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.916 0.865 . . . . 0.0 111.405 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.55 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 70.7 m -151.48 177.54 10.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.644 172.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.03 -148.19 0.39 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.48 ' CD ' ' H ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -95.46 164.43 12.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.714 0.292 . . . . 0.0 110.393 -175.461 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.04 162.17 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.07 0.462 . . . . 0.0 111.023 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.56 122.37 35.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.838 177.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.481 HG12 ' OE1' ' A' ' 36' ' ' GLU . 30.8 m -86.22 -3.07 8.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.405 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.71 177.83 29.58 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.497 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.28 13.49 8.0 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.008 0.523 . . . . 0.0 111.654 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.05 -18.79 56.05 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.46 ' HE3' HG21 ' A' ' 71' ' ' VAL . 46.3 pttt -93.97 173.33 7.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.992 0.425 . . . . 0.0 110.683 -178.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -141.37 170.98 14.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -173.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 56.7 tp -135.82 118.62 16.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.312 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.55 ' HG3' ' HB2' ' A' ' 15' ' ' LEU . 10.3 pt20 -129.6 149.57 51.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.305 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -147.29 146.19 29.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.385 -176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -140.55 143.77 35.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.895 0.379 . . . . 0.0 109.987 174.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.457 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -98.58 129.7 45.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -178.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 121.32 0.581 . . . . 0.0 109.901 176.451 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -97.27 -167.04 1.47 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.251 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.463 HD22 HG23 ' A' ' 82' ' ' VAL . 10.7 t30 -113.9 123.31 49.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.137 0.494 . . . . 0.0 111.91 -170.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -120.6 140.33 51.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.619 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.424 HG22 ' CD1' ' A' ' 23' ' ' PHE . 84.9 t -102.33 107.54 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.521 HG21 HD21 ' A' ' 24' ' ' LEU . 81.6 t -94.47 127.89 46.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.297 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.3 mt -118.65 102.63 9.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.392 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--N 1.32 -0.685 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.692 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.424 ' CD1' HG22 ' A' ' 13' ' ' VAL . 67.9 m-85 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 1.7 pp -125.4 178.07 5.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.842 0.353 . . . . 0.0 111.522 -176.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.2 p -96.05 173.45 7.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.58 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 m -52.51 -43.27 64.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.799 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -66.96 -38.46 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.149 -176.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 40.8 mt-10 -71.96 -35.03 69.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.011 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 79' ' ' TRP . 57.1 tp -63.26 -39.94 96.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.086 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.8 mt -54.86 -51.46 65.86 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.773 175.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -56.15 -42.19 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.151 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -62.59 -55.11 30.25 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.726 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.451 HD22 HD13 ' A' ' 62' ' ' LEU . 45.1 mt -57.35 -44.58 84.42 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -56.38 -51.45 68.27 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -66.2 -46.77 77.23 Favored Glycine 0 C--O 1.24 0.525 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.572 ' O ' HD13 ' A' ' 40' ' ' ILE . 5.3 mm-40 -69.96 -18.93 63.37 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 122.718 -0.284 . . . . 0.0 110.934 -178.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.2 tp -86.37 -42.75 13.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.84 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.4 pt-20 -64.84 -24.44 67.54 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.409 -177.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -81.3 -8.88 59.82 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.41 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -92.01 146.76 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 m -64.8 130.71 44.52 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 110.634 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -69.5 -10.93 60.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.459 -175.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 p -88.82 -13.91 38.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.74 -36.97 9.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.082 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.854 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.9 pp -60.82 155.23 53.79 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.614 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 11.3 Cg_endo -54.88 151.08 34.6 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.216 2.611 . . . . 0.0 113.624 -175.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.05 -29.82 63.75 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.088 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 15.7 mm-40 -48.92 -51.11 31.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.178 0.513 . . . . 0.0 110.707 173.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.854 ' HB2' HD13 ' A' ' 45' ' ' LEU . 28.5 mt -73.51 -26.24 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.585 -175.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -70.95 -36.55 72.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 48' ' ' GLU . 41.7 mtmt -74.74 -28.75 60.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.906 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.436 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 84.2 mt -70.61 126.73 30.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.197 0.522 . . . . 0.0 110.487 176.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -82.49 -18.89 40.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.74 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.8 m -118.67 136.07 54.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.816 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 46.3 tp -59.18 -48.72 95.82 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.785 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.0 Cg_endo -55.45 -36.58 94.41 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.071 1.848 . . . . 0.0 112.264 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.73 84.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.773 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.524 ' HB3' HD22 ' A' ' 49' ' ' LEU . 79.4 mt-30 -60.8 -51.05 70.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.284 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -65.29 -35.02 79.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.004 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.65 -37.66 82.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 37.0 t60 -71.02 -26.85 63.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 110.451 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 59' ' ' ALA . 68.5 mt -59.58 -54.92 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 173.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.2 -37.43 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.419 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 9.8 t70 -51.9 -48.53 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.645 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.8 p -105.5 -72.6 0.71 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.719 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.3 m 144.11 126.59 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.236 1.814 . . . . 0.0 108.794 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.51 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 42.0 t -155.13 123.5 5.96 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -93.17 129.1 39.3 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.201 0.524 . . . . 0.0 109.862 -169.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.9 tp -116.97 127.25 54.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.711 -163.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -81.71 115.87 21.16 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 169.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.586 HG23 ' HG3' ' A' ' 75' ' ' LYS . 11.3 m -107.47 27.89 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -170.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.58 170.35 43.9 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.819 174.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.95 5.6 2.44 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.001 0.52 . . . . 0.0 111.822 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.77 5.12 88.38 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.449 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.586 ' HG3' HG23 ' A' ' 71' ' ' VAL . 42.7 pttt -97.27 140.8 31.2 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -107.04 138.87 42.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.114 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.402 HD23 HD23 ' A' ' 33' ' ' LEU . 38.4 tp -93.67 112.55 24.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.776 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -125.28 139.21 53.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.423 -176.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.425 ' CD1' HD21 ' A' ' 29' ' ' LEU . 15.2 p90 -144.62 139.64 28.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.823 0.344 . . . . 0.0 110.184 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -116.88 135.57 53.63 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.03 111.41 19.27 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.463 HG23 HD22 ' A' ' 11' ' ' ASN . 11.4 m . . . . . 0 C--N 1.32 -0.701 0 CA-C-O 121.258 0.552 . . . . 0.0 109.692 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.734 0.302 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -75.14 -178.37 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.54 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -124.12 122.81 38.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.132 0.492 . . . . 0.0 110.779 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 76.9 m-85 -100.92 144.38 29.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.092 -177.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.77 101.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.796 0.807 . . . . 0.0 108.826 171.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.65 125.38 40.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.92 -175.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.2 mt -100.69 110.26 22.36 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 174.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.464 ' HG3' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.318 -0.764 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -174.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.606 0.241 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -138.65 143.25 39.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.4 p -81.07 176.47 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.326 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 m -54.21 -40.47 67.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.582 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.0 -44.14 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 33.6 mt-10 -70.2 -36.78 74.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.541 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 tp -63.62 -37.97 89.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.344 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.6 mt -54.94 -54.45 42.59 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.609 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.51 -35.24 77.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -65.3 -51.97 57.19 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.055 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.65 -50.4 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.737 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HB3' HD21 ' A' ' 55' ' ' LEU . 49.7 mtpt -52.1 -52.96 48.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.259 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.64 -46.72 93.14 Favored Glycine 0 C--O 1.241 0.538 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.745 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.481 ' O ' HG13 ' A' ' 40' ' ' ILE . 44.5 mt-10 -75.22 -19.21 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.746 0.308 . . . . 0.0 110.718 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.08 -31.89 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.237 174.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -59.81 -38.46 82.04 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.189 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -78.91 -0.23 30.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.458 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 36' ' ' GLU . 65.5 mt -94.09 139.96 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.982 0.42 . . . . 0.0 110.572 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.407 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 46.6 t -73.4 148.14 43.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.475 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -66.45 -22.4 66.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.862 0.363 . . . . 0.0 110.434 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.1 t -88.08 3.57 48.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.112 0.482 . . . . 0.0 110.227 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -115.29 -30.65 6.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.411 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.3 pp -85.85 154.21 58.2 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.514 ' HD2' HD12 ' A' ' 49' ' ' LEU . 61.7 Cg_exo -53.52 153.15 18.94 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.467 2.778 . . . . 0.0 113.752 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.42 -28.7 69.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.555 -176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.786 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 63.2 mm-40 -58.9 -42.35 89.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.277 0.56 . . . . 0.0 110.382 177.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.689 ' HB2' HD13 ' A' ' 45' ' ' LEU . 64.7 mt -72.96 -21.81 60.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.458 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.83 -32.24 63.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.786 ' HE2' ' HA ' ' A' ' 48' ' ' GLU . 43.8 mtmt -76.4 -25.08 54.16 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.944 0.402 . . . . 0.0 110.651 175.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.479 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 75.6 mt -79.18 106.88 11.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.268 0.556 . . . . 0.0 109.959 173.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.17 -29.11 70.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.839 -169.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -117.76 143.61 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.243 -173.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 10.6 tp -54.77 -51.5 78.4 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.588 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.0 Cg_endo -52.53 -39.98 73.41 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.224 1.949 . . . . 0.0 112.351 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.05 88.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.723 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.504 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 77.1 mt-30 -62.13 -56.27 20.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.616 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -63.18 -38.54 91.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.569 -177.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.68 -37.79 87.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.606 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 69.1 t60 -73.95 -26.01 60.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.542 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 58' ' ' GLN . 98.4 mt -59.86 -45.93 90.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 172.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.63 -25.39 34.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.966 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.606 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 42.2 m-20 -61.0 -45.51 94.51 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.086 0.47 . . . . 0.0 110.002 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 p -105.39 -82.17 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.81 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.8 m 144.87 138.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.103 1.761 . . . . 0.0 108.644 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 75.8 m -149.66 152.91 36.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.736 0.303 . . . . 0.0 110.476 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -96.25 117.03 29.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.5 tp -118.32 123.54 45.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.839 -169.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.55 108.04 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.637 HG23 ' HB2' ' A' ' 75' ' ' LYS . 2.5 m -102.64 21.75 2.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -171.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.29 149.89 25.97 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.582 -0.818 . . . . 0.0 113.274 171.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.64 11.8 7.03 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.289 0.636 . . . . 0.0 112.172 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.08 12.49 63.47 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.667 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.637 ' HB2' HG23 ' A' ' 71' ' ' VAL . 16.5 mtmt -79.06 134.54 36.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -113.68 122.22 46.49 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD13 ' HG3' ' A' ' 16' ' ' GLU . 56.6 tp -104.53 117.44 34.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.402 -175.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -137.4 146.9 44.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.599 171.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 33.1 p90 -133.5 136.47 45.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.917 0.389 . . . . 0.0 110.527 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -140.96 146.3 37.16 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . . . -96.4 132.49 41.87 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.054 0.454 . . . . 0.0 111.241 -175.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 172.64 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.531 ' HB2' HG22 ' A' ' 25' ' ' THR . 1.8 mp0 . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.741 0.305 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.64 148.21 51.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.955 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -105.63 137.38 43.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.483 . . . . 0.0 110.638 -175.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.58 140.59 44.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.998 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.6 t -86.29 114.78 26.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.005 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.578 HG13 HD11 ' A' ' 77' ' ' LEU . 88.8 t -104.42 105.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.19 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.5 mt -107.3 112.17 24.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.015 -176.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.927 174.338 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.1 p90 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 121.029 0.443 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -134.91 174.6 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.276 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.531 HG22 ' HB2' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -80.95 163.86 23.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -176.533 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 m -52.48 -40.62 62.54 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.9 0.48 . . . . 0.0 112.255 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.96 -44.5 81.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.207 -174.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.42 -37.85 84.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.69 0.281 . . . . 0.0 110.543 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.22 -38.94 89.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.109 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -61.85 -48.41 80.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.083 178.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.575 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 41.4 mt-10 -68.01 -32.8 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.017 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -66.48 -53.0 40.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.213 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.22 -27.96 68.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.494 -177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 54.8 mtmt -62.13 -38.99 91.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.702 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.536 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -73.92 -44.08 31.94 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.136 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.533 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -57.34 -32.36 66.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.176 -0.512 . . . . 0.0 110.826 175.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 tp -84.68 -41.17 16.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.822 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.536 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.3 pt-20 -67.63 -23.78 65.39 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.418 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 59.4 pttt -83.87 2.46 38.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.376 0.608 . . . . 0.0 110.435 177.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.6 mp -108.99 143.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.265 174.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.5 t -59.45 133.58 56.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.721 0.296 . . . . 0.0 110.769 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.434 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . 93.2 m-85 -71.9 -9.8 58.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -93.96 -13.76 26.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.211 0.529 . . . . 0.0 109.738 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -99.69 -36.01 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.348 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.6 pp -63.28 160.45 40.81 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.14 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.547 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 87.5 Cg_exo -44.42 141.71 5.02 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.604 2.869 . . . . 0.0 113.684 -177.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.527 HD12 ' HE3' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -53.82 -40.79 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.026 -176.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.58 -32.54 70.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.353 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.791 ' HB2' HD13 ' A' ' 45' ' ' LEU . 25.4 mt -78.19 -20.36 52.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.274 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -76.66 -29.65 56.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.862 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.527 ' HE3' HD12 ' A' ' 47' ' ' LEU . 99.5 mttt -76.39 -34.24 58.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.427 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.7 mt -77.81 138.99 39.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -99.38 -29.81 12.56 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.272 -174.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 46.9 m -96.12 130.21 43.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.379 -176.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.56 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 6.6 mp -49.21 -48.39 73.9 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.654 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.0 Cg_endo -54.78 -28.36 57.13 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.284 1.99 . . . . 0.0 113.04 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.33 -40.96 22.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.379 0.609 . . . . 0.0 109.833 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 54' ' ' SER . 57.4 mt-30 -64.4 -47.97 77.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.489 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.48 76.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.453 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 13.3 tm0? -64.35 -42.76 96.06 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -53.42 -44.16 68.54 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.532 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.628 HD21 HD11 ' A' ' 49' ' ' LEU . 78.3 mt -55.99 -55.04 37.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.354 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.401 HD12 ' HG ' ' A' ' 30' ' ' LEU . 90.5 mt -59.61 -45.54 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.994 -176.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.12 -30.85 71.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.918 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 p -109.63 -81.88 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.609 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m 145.56 135.94 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.265 1.826 . . . . 0.0 108.188 -171.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 74.1 m -151.73 167.98 26.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -96.46 137.8 35.0 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 tp -151.36 113.21 4.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.672 0.272 . . . . 0.0 111.34 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -75.38 120.69 21.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 75' ' ' LYS . 29.2 m -102.84 20.22 3.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -170.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.538 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 92.27 156.54 32.85 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.592 171.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 67.31 -4.55 0.85 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.531 0.732 . . . . 0.0 112.284 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.07 7.97 67.38 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.049 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HG3' HG23 ' A' ' 71' ' ' VAL . 62.6 pttt -87.45 156.43 19.57 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -106.12 156.12 18.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.781 0.324 . . . . 0.0 110.807 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 14' ' ' VAL . 41.1 tp -147.57 125.84 12.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.217 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.15 152.65 40.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 172.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 23.1 p90 -128.77 140.76 51.57 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.868 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -140.47 144.92 36.32 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.58 120.16 27.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.123 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.321 -0.638 0 CA-C-O 121.707 0.765 . . . . 0.0 110.26 176.197 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.562 ' HB3' HG22 ' A' ' 25' ' ' THR . 28.0 mt-30 . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -79.93 156.51 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -106.44 131.77 53.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.323 0.582 . . . . 0.0 110.024 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 81' ' ' ALA . 75.8 m-85 -116.96 137.37 52.26 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.231 -175.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.3 m -91.65 111.05 23.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -97.38 118.64 44.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.082 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -107.81 102.41 11.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.149 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HG2' HD13 ' A' ' 77' ' ' LEU . 21.5 mt-10 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.1 p90 . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -131.97 157.27 44.49 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.157 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -82.25 170.69 15.11 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -174.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 m -53.3 -42.43 66.62 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -66.47 -47.77 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 110.969 -175.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.66 -36.42 84.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.3 tp -64.53 -43.03 95.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.09 176.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -54.49 -52.53 61.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.39 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.9 -37.6 82.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.571 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -63.31 -51.2 67.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 110.097 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.48 -38.49 87.48 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.525 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -60.11 -39.13 85.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.697 0.284 . . . . 0.0 111.004 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.506 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -77.42 -42.31 18.6 Favored Glycine 0 C--O 1.237 0.308 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.939 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.549 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -67.78 -21.03 65.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.777 0.322 . . . . 0.0 111.159 178.804 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.1 tp -85.92 -38.55 17.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.506 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 10.9 pt-20 -70.26 -27.25 64.29 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.341 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 65.5 pttt -74.71 -12.34 60.39 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.923 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.54 HD12 ' HG3' ' A' ' 39' ' ' LYS . 1.7 mp -94.57 137.96 21.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 m -62.18 146.03 51.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.151 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.54 -36.4 82.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.671 -174.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.4 m -77.92 -11.67 59.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.062 0.458 . . . . 0.0 110.661 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -96.25 -19.15 19.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.803 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.8 pp -86.14 156.78 57.27 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.463 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.493 ' HD2' HD12 ' A' ' 49' ' ' LEU . 88.6 Cg_exo -48.91 142.68 19.03 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.41 2.74 . . . . 0.0 113.716 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.415 ' HA ' HE21 ' A' ' 50' ' ' GLN . 55.4 tp -60.79 -31.03 70.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.18 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -56.75 -38.16 72.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.095 0.474 . . . . 0.0 110.669 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.669 ' HB2' HD13 ' A' ' 45' ' ' LEU . 44.8 mt -74.09 -26.99 60.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.311 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' A' ' 47' ' ' LEU . 50.6 mt-30 -73.87 -28.01 61.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.341 176.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -70.14 -35.38 74.02 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.823 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 53.9 mt -72.84 140.79 47.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.012 176.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.92 -35.24 14.84 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.198 -172.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -99.61 143.04 30.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.575 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.55 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 47.8 tp -61.28 -49.02 89.76 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.609 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.3 Cg_endo -56.08 -38.12 95.3 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.955 1.77 . . . . 0.0 112.042 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.94 88.29 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.495 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 73.5 mt-30 -63.21 -52.97 60.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.476 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -61.63 -40.44 94.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.492 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.82 -42.36 95.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.557 ' O ' HG22 ' A' ' 65' ' ' THR . 28.9 m80 -69.0 -32.23 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.609 HD21 HD11 ' A' ' 49' ' ' LEU . 55.2 mt -53.18 -52.4 58.94 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 173.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 56.9 mt -58.13 -39.81 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.497 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.76 -47.16 55.49 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -172.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 61' ' ' HIS . 9.6 t -100.24 -25.12 14.36 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -169.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.7 m -145.43 -179.16 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.004 -0.435 . . . . 0.0 111.524 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.6 m -149.94 98.82 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 168.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -175.4 156.14 1.95 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.485 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.826 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 40.4 tp -167.37 111.73 0.7 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 172.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -70.64 115.56 9.94 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.5 m -120.74 18.31 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.006 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.82 168.42 17.44 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.524 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.26 98.21 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.831 0.348 . . . . 0.0 110.572 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.36 -5.78 71.16 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.041 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -106.08 127.02 52.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.849 0.357 . . . . 0.0 110.589 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -136.28 153.9 51.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.248 0.547 . . . . 0.0 110.623 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.826 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 44.3 tp -105.86 118.02 35.52 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.72 176.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.41 154.24 42.22 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.469 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 48.6 p90 -154.03 141.45 19.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.534 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -141.22 143.59 34.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.013 0.435 . . . . 0.0 110.609 173.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -86.9 142.61 27.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.873 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.319 -0.747 0 CA-C-O 121.414 0.626 . . . . 0.0 110.38 176.249 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.497 ' HG2' HD13 ' A' ' 27' ' ' ILE . 98.4 mt-30 . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.401 0.143 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.505 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.6 t70 -109.14 -168.89 1.39 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 174.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -107.18 116.83 32.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.999 0.428 . . . . 0.0 110.712 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 65.6 m-85 -118.77 130.64 55.9 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.0 t -98.72 121.94 49.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.552 HG23 HD21 ' A' ' 24' ' ' LEU . 92.6 t -99.39 117.53 44.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.309 0.576 . . . . 0.0 110.622 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -99.41 129.83 45.63 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.003 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.319 -0.737 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 173.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 40.9 p90 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 121.233 0.54 . . . . 0.0 111.532 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.552 HD21 HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -152.67 162.22 41.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.741 173.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 47.1 p -82.12 171.36 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.204 0.526 . . . . 0.0 112.188 -174.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 9' ' ' GLN . 4.9 m -51.61 -47.17 63.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.308 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.497 HD13 ' HG2' ' A' ' 9' ' ' GLN . 1.7 mp -66.58 -42.69 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.725 0.297 . . . . 0.0 110.767 -177.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.86 -43.23 96.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.8 tp -66.32 -36.72 83.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.808 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -56.74 18.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.134 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.551 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 54.7 mm-40 -61.2 -35.4 77.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.008 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -64.94 -51.54 61.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.448 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.0 mt -62.12 -35.26 78.2 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.08 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 54.5 mtpt -57.96 -40.26 80.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.632 0.253 . . . . 0.0 110.866 176.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.25 -53.15 19.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.951 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.862 ' HB3' HD21 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -57.64 -36.45 71.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.314 178.751 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.58 -43.95 62.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.636 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -75.72 -15.55 60.27 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.729 -175.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -89.01 -5.71 57.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.118 0.485 . . . . 0.0 109.815 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.526 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -95.53 144.13 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.085 172.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 m -59.5 130.95 49.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.97 0.414 . . . . 0.0 110.99 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.484 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . 91.2 m-85 -70.71 -10.77 60.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.086 -175.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.4 p -83.15 -22.55 33.27 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.212 0.529 . . . . 0.0 110.87 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.84 -19.61 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.468 -171.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.87 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.1 pp -72.67 156.26 90.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.709 176.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.61 151.68 24.0 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.231 2.621 . . . . 0.0 113.701 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.21 -28.03 68.85 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.879 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -49.84 -45.89 50.78 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.865 0.841 . . . . 0.0 110.566 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.87 ' HB2' HD13 ' A' ' 45' ' ' LEU . 22.0 mt -79.56 -21.01 45.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.714 -174.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.44 -22.33 54.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.241 0.544 . . . . 0.0 110.129 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -82.69 -34.71 27.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.943 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.7 mt -78.06 119.75 21.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.795 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.57 -30.04 62.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.72 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -98.44 132.57 43.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.703 0.287 . . . . 0.0 111.054 -175.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.523 ' HB3' ' HD3' ' A' ' 56' ' ' PRO . 34.6 tp -58.29 -44.81 99.56 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.358 177.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 53.6 Cg_exo -53.38 -44.19 51.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 122.068 1.845 . . . . 0.0 112.224 174.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.68 93.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.699 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -57.58 -55.86 29.4 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.672 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.01 -35.68 79.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.064 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -61.86 -41.4 97.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.613 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.541 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 61.0 t60 -70.24 -22.58 62.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.725 0.298 . . . . 0.0 110.63 -178.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 59' ' ' ALA . 96.0 mt -65.71 -53.1 45.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 171.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.82 -28.94 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.489 0.661 . . . . 0.0 109.834 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 33.2 t70 -64.72 -58.03 7.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.211 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 t -166.72 21.82 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.4 m -136.5 124.46 22.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.412 -0.805 . . . . 0.0 110.819 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.3 t -132.51 104.01 6.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.01 0.433 . . . . 0.0 111.581 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -172.18 121.83 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.984 169.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.862 HD21 ' HB3' ' A' ' 36' ' ' GLU . 32.5 tp -150.34 111.38 4.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.05 0.452 . . . . 0.0 110.74 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -93.32 107.11 18.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.381 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.558 HG23 ' HG3' ' A' ' 75' ' ' LYS . 24.2 m -98.76 17.95 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.544 -176.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 74.95 172.07 29.39 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.169 -0.538 . . . . 0.0 113.611 173.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 66.85 21.3 10.46 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.34 0.656 . . . . 0.0 112.162 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.23 0.91 87.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.945 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.558 ' HG3' HG23 ' A' ' 71' ' ' VAL . 24.9 pttm -104.42 147.72 27.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.925 0.393 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -124.08 149.0 46.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.68 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.538 HD22 ' HG2' ' A' ' 36' ' ' GLU . 13.1 tp -101.39 115.45 30.53 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -121.19 132.23 54.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.959 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.439 ' CZ2' ' HB3' ' A' ' 62' ' ' LEU . 44.1 p90 -126.37 144.16 50.92 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.892 0.377 . . . . 0.0 110.18 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.61 155.05 46.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.19 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -89.68 131.64 35.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.219 -175.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 121.532 0.682 . . . . 0.0 110.675 174.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 . . . . . 0 C--O 1.234 0.277 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -90.03 -158.04 0.5 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.578 HD22 ' H ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -127.41 139.52 52.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.668 0.746 . . . . 0.0 111.436 -174.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -121.05 137.98 54.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.551 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 23' ' ' PHE . 24.9 t -94.45 119.33 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.454 ' CG2' HD21 ' A' ' 24' ' ' LEU . 92.2 t -105.27 124.75 60.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.198 0.523 . . . . 0.0 111.298 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.5 mt -109.99 114.16 27.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.498 176.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.536 ' HB3' HG22 ' A' ' 13' ' ' VAL . 50.9 p90 . . . . . 0 C--O 1.236 0.35 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD12 ' CB ' ' A' ' 28' ' ' GLU . 1.1 pt? -146.09 169.49 18.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.437 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -83.07 162.6 21.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.063 -175.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.469 HG23 HG21 ' A' ' 63' ' ' ILE . 8.8 m -48.52 -47.05 39.31 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.004 0.522 . . . . 0.0 112.099 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.491 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 51.3 mm -60.96 -41.65 89.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.365 0.602 . . . . 0.0 110.846 -178.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.464 ' CB ' HD12 ' A' ' 24' ' ' LEU . 36.3 mt-10 -67.93 -37.09 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.515 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.07 -35.33 79.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.337 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 19.5 mt -52.49 -54.56 30.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.711 173.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -58.38 -37.9 76.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.953 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.78 -57.89 10.11 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.846 0.355 . . . . 0.0 110.562 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.25 -42.63 98.95 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.783 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -54.48 -49.39 70.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.05 -49.34 54.51 Favored Glycine 0 C--O 1.239 0.426 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.429 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.494 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 47.5 mm-40 -60.18 -44.11 95.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.505 0.193 . . . . 0.0 110.524 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.55 -43.45 93.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.879 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HB3' HD21 ' A' ' 55' ' ' LEU . 10.6 pt-20 -69.67 -20.17 63.58 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.552 -175.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.494 ' NZ ' ' HA ' ' A' ' 36' ' ' GLU . 29.9 mtmm -65.89 -32.33 73.77 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.27 172.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -75.34 140.01 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -58.13 133.59 55.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.906 0.384 . . . . 0.0 110.703 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -67.11 -12.37 59.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.899 -176.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 m -96.09 -3.76 44.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.925 0.393 . . . . 0.0 111.017 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.05 -41.82 6.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.072 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.59 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.8 pp -58.49 158.2 15.79 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.293 -178.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.544 ' HD2' HD12 ' A' ' 49' ' ' LEU . 77.0 Cg_exo -43.01 139.29 3.64 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.402 2.734 . . . . 0.0 113.526 -175.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.485 ' HG ' ' HE3' ' A' ' 51' ' ' LYS . 58.0 tp -58.26 -31.59 67.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.459 -177.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -60.99 -39.65 90.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.179 0.514 . . . . 0.0 110.323 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.59 ' HB2' HD13 ' A' ' 45' ' ' LEU . 39.1 mt -72.1 -31.89 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.939 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.423 HE21 ' HA ' ' A' ' 47' ' ' LEU . 49.6 mt-30 -64.96 -27.69 69.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.729 176.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.485 ' HE3' ' HG ' ' A' ' 47' ' ' LEU . 91.2 mttt -76.65 -34.17 58.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.92 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -74.68 109.29 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.643 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -65.62 -28.69 69.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.311 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -96.02 129.64 43.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.102 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.583 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 43.1 tp -62.94 -45.94 87.19 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.674 177.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.9 Cg_endo -55.89 -31.46 81.42 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 122.28 1.986 . . . . 0.0 112.259 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.55 -40.6 73.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.539 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -60.3 -52.03 67.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.288 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.34 86.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.26 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -63.36 -39.27 94.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.781 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -55.66 -42.43 75.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.56 -52.23 66.08 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.486 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.469 HG21 HG23 ' A' ' 26' ' ' THR . 85.2 mt -55.63 -45.62 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.37 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.44 -37.28 85.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.99 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 66' ' ' SER . 21.7 p -108.6 -79.93 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.527 ' HB2' ' O ' ' A' ' 65' ' ' THR . 24.9 t 156.63 160.23 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.495 1.118 . . . . 0.0 108.223 -174.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 19.9 t -176.04 158.76 2.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.856 0.36 . . . . 0.0 110.24 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -106.87 120.18 41.33 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 172.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 tp -129.07 122.87 30.86 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -171.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.48 113.85 20.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 166.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.633 HG23 ' HB2' ' A' ' 75' ' ' LYS . 7.6 m -90.62 16.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -171.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.95 156.45 32.69 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.349 172.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 67.66 15.51 9.72 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.062 0.545 . . . . 0.0 111.523 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.24 0.31 77.19 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.043 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.633 ' HB2' HG23 ' A' ' 71' ' ' VAL . 41.0 mtmt -79.37 146.62 32.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.277 0.561 . . . . 0.0 110.275 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -124.3 120.08 31.16 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.432 HD22 HG11 ' A' ' 71' ' ' VAL . 43.5 tp -105.49 130.03 53.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.887 0.375 . . . . 0.0 111.336 -174.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -129.83 131.08 46.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.823 175.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -132.66 140.37 48.13 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -134.36 139.46 45.65 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.7 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.61 118.24 26.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.399 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.32 -0.685 0 CA-C-O 121.646 0.736 . . . . 0.0 109.928 177.895 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.935 0.397 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 25' ' ' THR . 13.1 t70 -116.87 -169.07 1.57 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 171.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.39 116.13 31.39 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.68 0.752 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 20.3 m-85 -103.27 140.25 37.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.924 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.8 p -87.13 112.08 22.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.699 0.762 . . . . 0.0 110.711 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.498 HG21 HD13 ' A' ' 29' ' ' LEU . 90.9 t -103.71 129.89 55.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.886 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.574 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . 53.7 mt -92.3 102.11 14.6 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.592 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.814 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.515 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 22.7 p90 . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 121.405 0.621 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -134.83 172.78 12.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.069 -176.08 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 31.6 p -89.83 168.98 11.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.036 0.445 . . . . 0.0 111.5 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -51.22 -52.67 42.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.267 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.04 -37.42 67.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.132 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.18 -50.69 63.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.712 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.498 HD13 HG21 ' A' ' 14' ' ' VAL . 36.4 tp -60.8 -33.44 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.659 -178.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 60' ' ' GLN . 5.1 mt -56.97 -62.7 1.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.097 175.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 52.2 mm-40 -60.95 -33.56 73.37 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.17 -176.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -57.12 14.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.732 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.01 -37.06 86.06 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.545 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 56.6 mtpt -56.54 -38.25 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.602 0.239 . . . . 0.0 111.039 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.637 ' O ' ' HG3' ' A' ' 39' ' ' LYS . . . -70.76 -53.81 11.07 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.036 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.482 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -61.32 -32.3 72.17 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.454 -0.439 . . . . 0.0 111.051 179.829 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.0 tp -66.47 -40.11 89.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.34 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.619 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 3.2 pp20? -76.57 -13.68 60.06 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.804 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.637 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 45.1 mttm -81.88 -27.24 33.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.033 0.444 . . . . 0.0 110.575 173.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.6 mp -80.38 142.05 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.078 177.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.5 m -60.32 140.47 57.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.059 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.13 -21.78 63.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.931 0.396 . . . . 0.0 111.119 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -92.03 0.53 57.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -107.63 -34.16 7.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.765 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -67.04 153.63 94.15 Favored Pre-proline 0 C--O 1.238 0.452 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.631 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.475 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 79.9 Cg_exo -46.48 142.51 9.46 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.503 2.802 . . . . 0.0 113.701 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -37.42 74.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.395 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 3.9 tp10 -57.65 -33.07 67.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.616 0.722 . . . . 0.0 110.431 -176.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.543 ' HB2' HD13 ' A' ' 45' ' ' LEU . 36.0 mt -72.42 -26.3 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.155 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -73.61 -25.37 60.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.869 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 5.2 mptp? -70.05 -36.02 74.69 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.381 0.61 . . . . 0.0 110.209 171.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.543 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 68.3 mt -78.48 112.52 15.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.539 -178.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.13 -34.65 78.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.898 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 t -92.17 123.96 35.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 49.2 tp -54.8 -49.82 89.48 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.771 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.2 Cg_endo -56.79 -39.62 90.08 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 121.83 1.687 . . . . 0.0 112.637 175.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.88 78.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.761 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.543 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 78.2 mt-30 -61.38 -51.14 70.03 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.275 176.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.558 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -61.54 -39.47 91.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.921 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.419 ' HB2' HD21 ' A' ' 30' ' ' LEU . 23.8 tp60 -62.64 -40.18 96.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.584 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -65.68 -34.79 79.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.571 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.78 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 92.4 mt -58.61 -49.0 79.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.076 0.465 . . . . 0.0 110.128 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.643 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 38.5 mt -63.54 -37.95 80.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.677 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -68.14 -61.91 1.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.478 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 p -150.39 70.42 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.78 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 49.0 m -147.91 -174.9 4.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.318 -0.239 . . . . 0.0 110.481 171.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 57.9 m -107.02 -166.13 1.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.421 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 77' ' ' LEU . 3.0 mp0 -94.35 176.37 6.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -141.81 153.56 44.6 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.926 0.394 . . . . 0.0 111.748 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -85.05 126.45 33.58 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.447 HG23 ' HG3' ' A' ' 75' ' ' LYS . 32.8 m -105.27 14.17 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.857 -172.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 94.17 149.45 25.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.991 176.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 72.01 18.63 4.88 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.33 0.652 . . . . 0.0 112.126 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.25 -8.67 69.89 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.709 -0.758 . . . . 0.0 113.227 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 25.7 pttm -89.62 143.33 26.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -113.56 170.98 7.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 36.6 tp -135.02 111.67 9.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.623 176.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.574 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 1.6 mp0 -113.55 143.03 45.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.057 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.643 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 38.2 p90 -147.06 137.92 23.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 176.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -142.12 137.87 31.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.119 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.07 113.45 18.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.799 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.042 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.533 ' HG2' HG12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.929 0.395 . . . . 0.0 111.214 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.88 154.26 41.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.223 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.578 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 4.1 p-10 -107.07 147.02 30.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.219 0.533 . . . . 0.0 111.239 -176.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.431 ' HD1' ' HA ' ' A' ' 81' ' ' ALA . 96.6 m-85 -115.4 144.3 44.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.575 177.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.546 ' HB ' ' HD2' ' A' ' 80' ' ' TYR . 59.3 t -86.07 106.91 15.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.516 HG21 HD13 ' A' ' 29' ' ' LEU . 22.4 t -112.05 103.8 16.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.517 -175.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -95.38 101.74 13.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.026 0.441 . . . . 0.0 110.152 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.913 -177.158 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.466 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . 3.5 p90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.951 0.405 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 28' ' ' GLU . 1.3 pt? -136.47 164.68 27.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.582 -165.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 11' ' ' ASN . 43.9 p -77.36 169.55 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.919 -174.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 m -49.59 -46.69 49.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.919 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.533 HG12 ' HG2' ' A' ' 9' ' ' GLN . 44.7 mm -67.09 -43.44 88.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -177.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.517 ' HB3' HD12 ' A' ' 24' ' ' LEU . 20.7 mm-40 -63.21 -41.53 99.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.163 0.506 . . . . 0.0 110.104 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 14' ' ' VAL . 64.8 tp -60.97 -41.71 96.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.268 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.0 mt -53.84 -52.08 61.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.891 175.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.478 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 7.3 mm-40 -58.09 -40.13 80.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.447 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 23.1 ttmm -69.03 -52.54 27.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.648 176.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.1 mt -55.8 -46.34 78.05 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.721 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 43.6 mtmt -57.95 -41.35 82.67 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.282 0.364 . . . . 0.0 111.006 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.519 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -69.05 -46.82 57.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.433 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 6.6 mm-40 -69.22 -19.07 63.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.188 0.518 . . . . 0.0 110.36 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 tp -84.62 -42.73 15.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.228 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -70.67 -20.84 62.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.397 -176.701 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 17.7 ptpt -77.58 -8.16 57.42 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.92 0.391 . . . . 0.0 110.455 175.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.0 mt -94.93 142.84 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -67.06 135.58 53.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.056 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.425 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 84.6 m-85 -67.7 -10.64 54.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.335 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.5 p -83.33 -14.35 53.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.92 0.391 . . . . 0.0 110.924 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -110.54 -37.82 5.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.654 -171.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.713 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.6 pp -63.0 153.44 80.81 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.064 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' HD12 ' A' ' 49' ' ' LEU . 98.5 Cg_exo -45.03 145.14 3.28 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.674 2.916 . . . . 0.0 113.909 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.524 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 41.6 tp -60.25 -30.54 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.219 -177.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.03 -43.01 63.53 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.506 0.67 . . . . 0.0 110.671 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.713 ' HB2' HD13 ' A' ' 45' ' ' LEU . 27.4 mt -78.73 -17.1 56.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.907 -176.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -81.91 -18.93 41.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.87 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 47' ' ' LEU . 91.3 mttt -83.26 -34.43 25.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.911 177.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 58' ' ' GLN . 62.2 mt -85.23 134.63 34.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.282 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.78 -30.86 16.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.861 0.363 . . . . 0.0 111.283 -177.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -92.04 138.25 31.69 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.745 0.307 . . . . 0.0 110.828 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.559 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 12.7 tp -62.66 -48.07 86.75 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.659 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.8 Cg_endo -55.29 -38.09 94.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 122.247 1.965 . . . . 0.0 112.229 176.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -45.78 84.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.608 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.459 ' HB3' HD22 ' A' ' 49' ' ' LEU . 79.5 mt-30 -59.4 -51.22 70.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.761 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 62' ' ' LEU . . . -61.87 -40.53 95.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.657 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.57 -36.57 82.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.684 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.508 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 46.8 t60 -64.89 -27.56 68.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.226 0.536 . . . . 0.0 109.922 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 95.3 mt -64.64 -51.79 60.75 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.04 -36.23 66.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.676 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.508 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 3.5 p30 -86.81 -34.68 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -174.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 p -129.03 -36.86 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.6 m -128.83 124.59 35.76 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 119.772 -0.771 . . . . 0.0 112.725 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 64.4 m -117.09 101.59 8.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.21 0.528 . . . . 0.0 110.443 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -173.01 118.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.4 tp -157.59 111.74 2.61 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.105 -177.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.56 117.76 32.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 170.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.504 HG12 ' HB3' ' A' ' 36' ' ' GLU . 29.6 m -86.09 4.49 3.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.698 -171.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.55 111.46 1.2 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.337 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 56.93 70.72 0.63 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.84 19.02 74.79 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.949 -0.569 . . . . 0.0 113.585 171.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -114.63 120.54 40.5 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -107.55 151.05 26.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.286 0.565 . . . . 0.0 111.835 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.1 tp -119.41 112.1 18.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.694 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -125.2 132.94 52.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 34.7 p90 -118.82 122.17 41.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.196 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.546 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 2.0 m-85 -97.57 122.26 40.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.431 ' HA ' ' HD1' ' A' ' 12' ' ' PHE . . . -74.94 111.67 10.38 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.442 -0.845 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.677 -179.216 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.496 ' OE1' ' HB ' ' A' ' 25' ' ' THR . 43.0 mt-30 . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 120.881 0.372 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -104.2 162.47 13.16 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -106.52 115.79 30.82 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.521 0.677 . . . . 0.0 109.51 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 86.0 m-85 -110.7 131.08 55.36 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.258 -176.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p -86.24 107.06 16.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.781 0.8 . . . . 0.0 109.723 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.0 t -93.51 123.99 45.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.078 -175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 mt -91.73 102.16 14.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.087 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.487 -176.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 14.5 p90 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.9 pp -121.63 175.15 6.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.11 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.496 ' HB ' ' OE1' ' A' ' 9' ' ' GLN . 50.1 p -80.57 162.56 24.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.776 -174.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -55.91 -39.72 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.635 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.4 HG12 ' OE1' ' A' ' 9' ' ' GLN . 33.4 mm -60.28 -45.13 96.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.819 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.488 ' HB2' HD13 ' A' ' 24' ' ' LEU . 38.7 mt-10 -62.35 -39.84 94.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.07 -42.71 80.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.385 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 30' ' ' LEU . 7.5 mt -58.0 -55.36 35.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.391 178.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.67 -39.46 77.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.374 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -63.4 -53.8 46.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.0 mt -57.37 -44.82 84.72 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.011 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -57.81 -54.7 43.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.771 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -65.34 -46.88 84.59 Favored Glycine 0 C--O 1.24 0.506 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.133 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.04 73.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.635 -0.283 . . . . 0.0 111.494 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.3 tp -79.82 -37.36 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.349 0.406 . . . . 0.0 111.786 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 1.8 pp20? -68.68 -25.65 64.9 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.186 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -82.09 -5.18 58.21 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.235 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mp -85.49 140.23 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 170.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 m -60.56 138.96 57.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.018 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -63.68 -34.8 78.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.7 p -86.54 10.82 14.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.996 0.427 . . . . 0.0 111.077 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -113.24 -36.27 5.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.649 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.646 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.2 pp -73.03 158.54 86.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.014 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD2' HD12 ' A' ' 49' ' ' LEU . 86.4 Cg_exo -47.42 144.39 10.05 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.482 2.788 . . . . 0.0 113.631 -177.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.55 -28.22 69.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.146 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 48' ' ' GLU . 21.8 mp0 -61.33 -41.05 96.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.312 0.577 . . . . 0.0 109.599 177.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.646 ' HB2' HD13 ' A' ' 45' ' ' LEU . 48.7 mt -74.59 -27.58 60.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.902 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -68.0 -22.76 64.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.525 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -85.46 -29.11 24.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.076 0.465 . . . . 0.0 110.349 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.94 106.91 13.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.771 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.32 -24.51 63.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.421 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -93.74 124.53 37.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.532 ' HB3' ' HD3' ' A' ' 56' ' ' PRO . 59.4 tp -57.94 -46.25 99.72 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.226 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 51.6 Cg_exo -56.52 -38.17 95.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 121.844 1.696 . . . . 0.0 112.13 174.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.76 82.0 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.731 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.542 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 51.5 mt-30 -55.34 -52.16 64.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.488 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.62 95.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.398 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -63.6 -42.45 98.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.105 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -64.53 -30.68 71.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.994 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.856 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.7 mt -60.77 -50.19 74.44 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.606 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 73.6 mt -59.16 -45.76 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.695 177.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -64.9 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.128 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.18 70.17 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.042 0.449 . . . . 0.0 111.965 -176.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.856 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 57.5 m -146.05 -169.78 3.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.768 0.318 . . . . 0.0 110.412 170.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.502 ' HB3' ' OE1' ' A' ' 68' ' ' GLU . 60.5 m -103.2 -149.26 0.4 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.321 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.502 ' OE1' ' HB3' ' A' ' 67' ' ' CYS . 2.2 pm0 -94.64 165.18 12.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.858 0.361 . . . . 0.0 110.22 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -131.11 123.33 28.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.207 -174.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -83.91 132.95 34.74 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 168.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 75' ' ' LYS . 27.5 m -112.33 26.64 3.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -168.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.18 176.53 51.53 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.229 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 59.03 15.88 4.31 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.921 0.488 . . . . 0.0 112.078 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.27 7.25 77.33 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 121.422 -0.418 . . . . 0.0 113.343 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' HG3' HG23 ' A' ' 71' ' ' VAL . 19.8 ptmt -100.35 140.81 34.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.194 0.497 . . . . 0.0 110.54 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -111.26 142.69 43.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.015 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.4 tp -114.35 112.2 22.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.502 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -122.58 131.87 54.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.327 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.606 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 30.8 p90 -136.61 137.64 40.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.846 0.355 . . . . 0.0 110.187 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -141.59 145.96 35.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.335 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.48 136.46 36.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.408 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.792 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.649 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 27.4 mt-30 . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' THR . 15.3 m-20 -67.73 166.1 15.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.493 -177.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -106.55 125.7 51.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.407 0.622 . . . . 0.0 109.973 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -124.14 139.81 53.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.65 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 80' ' ' TYR . 28.0 m -94.01 129.31 44.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.7 t -102.87 117.5 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.484 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.574 HD21 ' HD1' ' A' ' 80' ' ' TYR . 0.4 OUTLIER -119.36 101.92 8.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.698 0.761 . . . . 0.0 109.705 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 75' ' ' LYS . 46.7 mt-10 . . . . . 0 C--N 1.314 -0.953 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.579 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.7 p90 . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -143.28 172.97 12.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.542 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.649 ' HB ' ' HB3' ' A' ' 9' ' ' GLN . 81.1 p -85.84 170.47 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -172.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 m -52.43 -45.81 66.14 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.032 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.445 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 46.9 mm -61.94 -47.18 94.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.625 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 9.5 mm-40 -55.86 -46.02 78.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.016 176.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.8 tp -65.09 -44.57 88.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.8 mt -52.59 -51.86 57.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.755 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 19.8 mm-40 -65.14 -38.18 89.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.151 -174.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 3.7 ptpp? -79.76 -33.18 40.88 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.251 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.99 -45.91 92.91 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.574 ' HG2' ' HG ' ' A' ' 55' ' ' LEU . 9.1 mtpp -57.3 -46.03 83.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.255 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.99 -48.64 78.83 Favored Glycine 0 C--O 1.237 0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.516 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 7.4 mm-40 -73.82 -18.71 60.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.704 0.287 . . . . 0.0 111.284 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.4 tp -82.93 -37.29 24.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.707 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -78.46 -16.69 57.29 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.099 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -81.93 -7.08 59.58 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.279 0.561 . . . . 0.0 109.602 172.129 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.5 mt -94.07 138.4 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.814 175.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.434 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 16.1 m -69.6 150.19 47.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.815 0.341 . . . . 0.0 110.535 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.496 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 85.4 m-85 -68.95 -14.79 63.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.2 t -85.48 -12.91 50.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.512 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' A' ' 41' ' ' SER . 29.5 m-20 -95.29 -39.13 10.21 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.895 0.378 . . . . 0.0 110.564 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.6 pp -72.68 146.37 88.22 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.41 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.488 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 22.2 Cg_endo -61.64 158.81 35.26 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.872 2.381 . . . . 0.0 113.519 -176.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.419 HD12 ' OE1' ' A' ' 50' ' ' GLN . 43.1 tp -52.42 -34.12 47.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.761 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -51.17 -47.76 62.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.699 ' HB2' HD13 ' A' ' 45' ' ' LEU . 24.1 mt -78.69 -15.31 58.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.547 -174.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.419 ' OE1' HD12 ' A' ' 47' ' ' LEU . 74.3 mt-30 -76.15 -33.11 59.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.032 0.444 . . . . 0.0 109.975 177.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -87.43 -23.3 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.045 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.451 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 96.2 mt -76.86 106.38 8.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.969 0.414 . . . . 0.0 109.927 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.91 -24.18 64.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.542 -173.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.6 m -100.08 129.65 46.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.276 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.582 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 17.7 tp -63.02 -46.05 86.84 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.536 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.7 Cg_endo -55.33 -39.14 92.64 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 121.939 1.759 . . . . 0.0 112.451 175.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.54 86.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.872 0.367 . . . . 0.0 110.793 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.522 ' HB3' HD22 ' A' ' 49' ' ' LEU . 77.0 mt-30 -62.97 -53.86 47.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.339 177.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.57 95.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.341 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.1 -36.58 84.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.45 -39.02 89.33 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.126 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.814 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.1 mt -59.47 -51.0 71.75 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.267 177.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.79 -48.97 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.567 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.7 -50.68 71.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.709 -175.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.9 t -164.87 78.99 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.784 0.802 . . . . 0.0 111.687 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.814 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 51.4 m -150.65 -174.97 4.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.609 169.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.2 m -101.64 -147.55 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.33 164.07 13.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.77 0.319 . . . . 0.0 110.519 -174.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.6 tp -121.55 117.29 26.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.197 -172.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -74.08 114.87 12.91 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 171.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.516 ' CG1' ' HB3' ' A' ' 36' ' ' GLU . 10.2 m -110.98 23.38 4.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.106 0.479 . . . . 0.0 111.736 -172.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.97 174.34 50.3 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.998 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.18 18.21 11.13 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.179 0.592 . . . . 0.0 111.742 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.21 13.74 79.44 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.472 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.487 ' HE3' ' CG2' ' A' ' 71' ' ' VAL . 34.1 ttpt -108.48 123.41 48.83 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.115 0.483 . . . . 0.0 110.387 -177.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -93.58 136.8 33.5 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.05 111.77 23.7 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.552 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . 5.7 tp-100 -116.86 131.39 56.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.903 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -128.41 129.47 46.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.176 0.512 . . . . 0.0 110.105 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.574 ' HD1' HD21 ' A' ' 15' ' ' LEU . 9.5 m-85 -105.82 123.13 47.45 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.679 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.67 111.22 13.22 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 171.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.319 -0.725 0 CA-C-O 121.448 0.642 . . . . 0.0 110.416 -176.769 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 . . . . . 0 N--CA 1.449 -0.524 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -110.93 -158.79 0.66 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -111.93 136.77 50.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.469 0.652 . . . . 0.0 111.976 -171.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -117.2 123.96 47.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.27 174.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.8 t -86.39 113.58 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG21 HD13 ' A' ' 29' ' ' LEU . 65.7 t -109.5 125.13 66.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.731 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.3 mt -96.35 113.81 25.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.594 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.137 -175.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 p90 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -147.71 167.99 23.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.095 -178.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' A' ' 28' ' ' GLU . 3.2 p -81.92 168.2 18.15 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -48.4 -52.19 23.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.488 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -60.79 -44.04 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.407 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.531 ' HB2' HD12 ' A' ' 24' ' ' LEU . 4.2 mm-40 -65.92 -41.14 91.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 -177.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.442 HD13 HG21 ' A' ' 14' ' ' VAL . 66.3 tp -63.18 -40.9 98.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.495 178.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -56.82 -52.57 64.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.133 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.58 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 65.6 mm-40 -65.83 -31.07 71.82 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.56 -178.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -68.25 -49.48 60.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.643 0.258 . . . . 0.0 110.355 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.3 mt -58.08 -49.26 77.54 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.399 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.58 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 9.2 ptmm? -64.58 -22.38 66.96 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -177.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.635 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -84.22 -45.35 6.26 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.319 -0.944 . . . . 0.0 111.196 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.532 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 20.6 tp10 -64.01 -29.83 70.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.495 0.664 . . . . 0.0 109.762 177.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 tp -75.25 -40.35 58.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.625 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -72.9 -14.11 61.41 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.948 0.404 . . . . 0.0 110.86 -179.459 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 50.9 mtpt -65.8 -28.53 69.08 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.68 0.753 . . . . 0.0 109.962 169.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.406 HD11 HG12 ' A' ' 71' ' ' VAL . 56.5 mt -84.8 144.9 8.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.973 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -66.91 147.6 53.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.843 0.354 . . . . 0.0 110.702 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 79.7 m-85 -64.2 -26.85 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -172.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -95.69 -4.25 44.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.035 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -93.25 -32.4 14.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.103 0.478 . . . . 0.0 110.319 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.3 pp -73.4 164.94 57.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.793 178.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.556 ' HD2' HD12 ' A' ' 49' ' ' LEU . 97.7 Cg_exo -46.83 147.11 5.0 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.461 2.774 . . . . 0.0 113.704 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -43.58 96.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.49 -176.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.67 -38.73 75.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.56 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.636 ' HB2' HD13 ' A' ' 45' ' ' LEU . 31.4 mt -70.34 -29.94 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.243 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 42' ' ' PHE . 78.3 mt-30 -64.1 -35.06 79.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.321 177.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 31.6 mmtp -81.89 -21.15 37.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 95.5 mt -76.21 105.75 7.43 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -69.79 -21.37 63.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.25 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.8 p -103.05 130.05 50.04 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.048 0.451 . . . . 0.0 110.607 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.601 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 36.8 tp -61.98 -46.59 91.98 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.855 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.5 Cg_endo -53.09 -36.02 74.86 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.261 1.974 . . . . 0.0 113.054 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.86 -36.6 78.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 110.965 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.467 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 74.5 mt-30 -60.94 -50.15 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.965 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.427 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -67.25 -34.56 77.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.835 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -66.12 -40.05 90.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.653 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -62.86 -36.9 84.8 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.681 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 96.4 mt -58.9 -51.77 68.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.585 175.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.01 -39.45 85.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.284 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.38 -67.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.627 -175.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.2 47.17 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.681 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 45.9 m -117.52 -177.73 3.3 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.979 178.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.5 p -102.91 -147.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.543 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -94.14 161.76 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 111.137 -173.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.4 tp -118.21 113.98 22.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.286 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.24 129.36 34.56 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.516 HG11 ' HG3' ' A' ' 36' ' ' GLU . 17.0 m -130.15 15.61 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.26 0.466 . . . . 0.0 112.26 -171.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.51 -155.18 52.89 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.792 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 58.9 16.48 4.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 122.923 0.489 . . . . 0.0 111.52 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.21 18.31 79.76 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.424 -177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HE3' HG21 ' A' ' 71' ' ' VAL . 57.5 pttt -130.51 148.17 52.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.301 0.572 . . . . 0.0 111.03 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.86 131.03 56.98 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.404 HD22 ' HG2' ' A' ' 36' ' ' GLU . 48.3 tp -91.29 110.97 22.27 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -120.44 141.65 49.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.619 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.401 ' HZ2' ' HB3' ' A' ' 62' ' ' LEU . 37.2 p90 -147.87 139.85 24.11 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -133.43 129.44 37.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.15 0.5 . . . . 0.0 110.349 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.12 134.72 44.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.064 -177.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.9 m . . . . . 0 C--N 1.32 -0.713 0 CA-C-O 121.249 0.547 . . . . 0.0 110.107 175.245 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.655 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 14.7 mm100 . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -74.46 152.73 39.4 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.56 HD22 ' H ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -106.12 116.88 32.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.68 0.752 . . . . 0.0 109.344 176.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -100.56 132.11 46.12 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.311 -174.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.4 t -86.43 104.61 13.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 29' ' ' LEU . 61.0 t -111.35 134.47 53.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.338 -176.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.6 mt -117.04 128.19 54.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.033 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 121.386 0.612 . . . . 0.0 111.773 178.705 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.6 p90 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 24' ' ' LEU . 1.8 pt? -151.52 163.14 39.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.484 176.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p -79.99 167.74 20.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.317 0.579 . . . . 0.0 112.031 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.655 ' HB ' ' NE2' ' A' ' 9' ' ' GLN . 10.9 m -49.07 -43.66 41.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.873 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 49.0 mm -67.3 -40.11 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.51 -40.59 70.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.783 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 14' ' ' VAL . 45.7 tp -62.13 -37.04 83.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.018 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 18.3 mt -54.42 -58.07 8.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.456 173.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.504 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 4.4 mm-40 -56.87 -40.02 75.42 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.072 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -65.02 -47.74 76.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.826 0.346 . . . . 0.0 110.688 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.2 mt -67.41 -48.24 67.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.866 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 10.0 ptmm? -64.52 -26.72 68.55 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.28 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.533 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -71.71 -44.55 48.17 Favored Glycine 0 C--O 1.238 0.362 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.006 177.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 27.4 mt-10 -80.48 -18.64 48.03 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.961 -0.729 . . . . 0.0 110.385 179.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -76.49 -37.97 55.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.629 174.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 12.4 pt-20 -70.66 -30.93 67.68 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.911 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.604 ' HG2' ' HA ' ' A' ' 36' ' ' GLU . 7.8 ptpp? -79.7 -12.36 59.81 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.005 175.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -81.89 143.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.53 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 m -68.61 144.02 54.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.066 0.46 . . . . 0.0 111.228 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -68.83 -16.72 63.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.595 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 p -90.53 -5.2 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.295 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.8 -27.57 8.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.619 -174.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.0 pp -72.86 154.37 91.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 176.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HD2' HD12 ' A' ' 49' ' ' LEU . 71.9 Cg_exo -51.19 147.84 19.69 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.188 2.592 . . . . 0.0 113.606 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.81 -33.26 72.74 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.289 -176.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 47.9 mt-10 -57.55 -38.09 74.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.918 0.39 . . . . 0.0 110.498 177.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.593 ' HB2' HD13 ' A' ' 45' ' ' LEU . 24.5 mt -73.24 -31.55 64.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.274 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -63.94 -29.15 70.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.523 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -83.08 -28.02 29.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.869 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 93.2 mt -74.99 109.15 8.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.134 0.493 . . . . 0.0 110.721 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.46 -28.55 67.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.261 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 m -94.97 130.02 41.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.933 0.397 . . . . 0.0 111.202 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.557 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 40.6 tp -61.39 -47.7 92.98 Favored Pre-proline 0 CA--C 1.542 0.663 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.975 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.4 Cg_endo -56.06 -38.32 94.97 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.123 1.882 . . . . 0.0 112.617 177.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.0 94.61 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.918 0.39 . . . . 0.0 110.833 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 55' ' ' LEU . 46.3 mt-30 -60.83 -50.41 73.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.027 177.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.95 89.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -65.6 -41.39 92.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.059 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -55.7 -38.49 69.76 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.074 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.0 mt -63.2 -58.25 7.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.079 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.524 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 89.5 mt -49.79 -37.71 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.612 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.24 -55.22 6.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.58 -172.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.1 t -144.1 -0.37 1.01 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.534 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 39.5 m -125.26 124.8 42.45 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.396 -0.815 . . . . 0.0 112.14 -175.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 67.3 m -131.52 100.12 5.04 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.947 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 67' ' ' CYS . 7.6 mm-40 -173.91 118.28 0.26 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.159 175.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.6 tp -151.96 110.77 3.83 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.267 0.556 . . . . 0.0 111.382 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.412 ' HA ' ' CE1' ' A' ' 76' ' ' TYR . 20.7 t70 -88.55 95.5 10.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.119 173.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.478 HG21 ' HE3' ' A' ' 75' ' ' LYS . 30.2 m -87.32 -19.39 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.587 -175.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 73.72 -151.99 45.33 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.032 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 60.68 13.28 4.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.773 0.429 . . . . 0.0 111.896 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.67 5.03 88.64 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.757 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' HE3' HG21 ' A' ' 71' ' ' VAL . 48.1 pttt -121.14 168.97 10.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.367 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.412 ' CE1' ' HA ' ' A' ' 70' ' ' ASP . 5.8 m-85 -137.46 139.88 40.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.529 173.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 tp -115.97 128.3 55.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.381 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.26 159.23 42.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.93 174.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.524 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 24.3 p90 -144.87 136.72 25.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.083 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -101.87 98.29 8.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.769 0.795 . . . . 0.0 109.707 173.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.48 118.29 12.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.388 -175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 121.361 0.601 . . . . 0.0 110.537 177.067 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.5 pm0 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.01 -179.15 5.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.8 0.334 . . . . 0.0 111.053 -178.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 19.8 p30 -142.1 152.26 43.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.089 0.471 . . . . 0.0 110.998 -178.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -130.37 153.9 48.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.372 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -89.37 117.28 32.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.321 0.581 . . . . 0.0 109.714 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -99.71 120.39 49.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.778 -174.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt -107.08 116.2 31.52 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.334 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 . . . . . 0 C--N 1.322 -0.613 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.913 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.3 p90 . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.943 0.402 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 pp -138.19 163.22 32.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.623 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -80.64 169.3 17.82 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.191 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.47 -53.55 36.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.75 -175.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 mm -59.79 -41.56 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.272 0.558 . . . . 0.0 110.896 -175.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -60.75 -44.02 97.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.427 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.1 tp -68.04 -36.84 80.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.216 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.2 mt -55.44 -57.45 11.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.191 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.48 -29.59 70.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.416 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -67.9 -50.44 56.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.74 -45.15 94.05 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.36 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -51.66 -46.46 63.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.54 -44.73 57.09 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.807 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' HD13 ' A' ' 40' ' ' ILE . 44.5 mt-10 -75.55 -19.08 59.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.977 0.418 . . . . 0.0 110.942 -177.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' A' ' 58' ' ' GLN . 60.9 tp -81.27 -42.57 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.827 176.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.39 -24.5 64.78 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.247 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HD3' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -83.13 -10.76 58.48 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.805 175.71 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.583 HG22 HD23 ' A' ' 45' ' ' LEU . 1.1 mp -81.86 141.91 14.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 m -70.35 143.25 52.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.73 0.3 . . . . 0.0 110.835 -177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.516 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 88.2 m-85 -65.35 -20.33 66.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.173 0.511 . . . . 0.0 110.701 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -75.9 -17.08 59.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.77 177.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -103.25 -33.17 9.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.933 -174.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.583 HD23 HG22 ' A' ' 40' ' ' ILE . 3.9 pp -78.17 147.82 73.59 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.406 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.589 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 19.6 Cg_endo -58.4 156.05 32.81 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 123.049 2.499 . . . . 0.0 113.411 -176.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.437 ' HG ' ' HE2' ' A' ' 51' ' ' LYS . 64.7 tp -61.5 -27.89 68.91 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.225 -177.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -57.03 -42.6 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.589 ' HG ' ' HG2' ' A' ' 46' ' ' PRO . 44.8 mt -75.48 -27.31 58.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.276 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -67.92 -29.95 69.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.589 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.437 ' HE2' ' HG ' ' A' ' 47' ' ' LEU . 68.1 mttm -81.61 -33.62 31.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.948 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.34 111.64 3.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.15 0.5 . . . . 0.0 110.246 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -73.29 -15.31 61.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.321 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 p -111.13 128.49 55.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.095 0.474 . . . . 0.0 111.388 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.591 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 54.0 tp -57.53 -46.9 99.74 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.939 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.3 Cg_endo -53.41 -41.91 69.5 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.304 2.003 . . . . 0.0 112.824 176.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.01 81.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.64 0.257 . . . . 0.0 110.856 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' HB3' HD21 ' A' ' 37' ' ' LEU . 80.2 mt-30 -59.54 -54.78 42.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.459 176.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.82 -37.8 88.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.047 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.24 -42.83 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.558 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 37.3 t60 -67.74 -32.39 72.97 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.19 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 59' ' ' ALA . 92.4 mt -59.18 -46.37 88.57 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 173.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.7 mt -61.63 -37.32 77.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.994 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.558 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 57.5 m-20 -59.28 -39.03 81.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.064 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 66' ' ' SER . 1.8 t -106.76 -79.03 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.806 -0.357 . . . . 0.0 111.513 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.731 ' H ' HG23 ' A' ' 65' ' ' THR . 18.0 m 162.28 173.37 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.199 1.4 . . . . 0.0 108.184 -171.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.421 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 48.1 t 179.72 154.0 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -110.41 117.5 33.76 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.1 tp -118.0 116.34 26.7 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.835 -170.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -81.29 115.69 20.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 169.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 75' ' ' LYS . 12.6 m -85.88 7.36 2.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.906 0.384 . . . . 0.0 111.772 -172.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.01 -36.55 3.79 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.018 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.45 21.85 2.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.878 0.37 . . . . 0.0 111.384 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.34 -3.43 77.71 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.365 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . 39.9 mtmt -89.38 137.72 32.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -111.6 120.78 43.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.958 0.408 . . . . 0.0 110.031 178.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -89.32 117.02 27.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.411 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -129.3 141.03 51.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.899 178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.421 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 9.5 p90 -149.6 148.12 28.95 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -142.05 153.44 44.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 170.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.77 134.93 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.705 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 121.433 0.635 . . . . 0.0 110.731 177.752 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.464 ' HG2' HG12 ' A' ' 27' ' ' ILE . 47.6 mt-30 . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 121.49 0.662 . . . . 0.0 112.404 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.496 ' O ' ' HA ' ' A' ' 25' ' ' THR . 5.2 t70 -115.52 -173.49 2.34 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 169.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.51 129.1 56.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.587 0.708 . . . . 0.0 111.451 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -128.44 134.78 48.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.839 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . 7.6 p -86.68 119.78 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.442 0.639 . . . . 0.0 109.744 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' A' ' 29' ' ' LEU . 58.2 t -107.31 114.87 47.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.727 -175.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.1 mt -91.36 101.99 14.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.733 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.737 -179.558 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.559 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 29.0 p90 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.041 0.448 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.32 172.57 7.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.803 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 9.9 p -81.79 161.55 23.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.205 0.526 . . . . 0.0 112.299 -174.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.6 m -53.93 -44.63 70.77 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.111 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.464 HG12 ' HG2' ' A' ' 9' ' ' GLN . 38.2 mm -67.05 -39.36 83.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.95 0.405 . . . . 0.0 110.809 -177.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.09 -41.06 95.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.959 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.429 HD13 ' CG2' ' A' ' 14' ' ' VAL . 38.6 tp -63.51 -41.67 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.459 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -56.61 -51.51 68.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.495 -179.465 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.44 -34.09 77.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.585 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 26.9 mtpp -62.48 -49.77 74.07 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 173.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 33' ' ' LEU . 45.3 mt -60.42 -42.51 96.17 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.232 178.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 56.4 mtpt -55.72 -53.13 60.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.622 0.249 . . . . 0.0 110.584 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.34 -43.22 95.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.495 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.563 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -71.22 -19.57 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.677 0.275 . . . . 0.0 111.388 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 tp -86.33 -39.1 16.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.635 0.255 . . . . 0.0 110.933 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.527 ' HB3' HD21 ' A' ' 55' ' ' LEU . 13.0 pt-20 -73.41 -20.0 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.637 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -80.02 -5.11 55.18 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.542 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.563 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.7 mp -99.13 145.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 172.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 22.9 t -56.22 133.8 52.68 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.245 0.545 . . . . 0.0 110.957 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -69.59 -19.08 63.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.893 -175.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.1 p -93.88 -8.33 40.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 3.8 m-20 -115.62 -9.65 11.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.861 -172.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.1 pp -68.07 158.16 84.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.51 175.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.56 ' HD2' HD12 ' A' ' 49' ' ' LEU . 84.5 Cg_exo -44.06 143.38 3.32 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.559 2.839 . . . . 0.0 114.233 -175.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.31 -29.93 67.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.983 -176.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.2 -35.2 79.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.401 0.62 . . . . 0.0 110.672 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.657 ' HB2' HD13 ' A' ' 45' ' ' LEU . 28.9 mt -75.83 -20.5 58.12 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.683 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -76.81 -25.57 53.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.177 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -72.32 -34.83 68.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.244 0.545 . . . . 0.0 110.023 174.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.491 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 43.1 mt -79.7 137.68 37.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.266 175.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -85.08 -37.78 19.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.955 0.407 . . . . 0.0 111.209 -173.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 8.7 t -102.7 144.25 31.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -173.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 38' ' ' GLU . 25.5 tp -62.79 -50.46 77.53 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.243 -177.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.9 Cg_endo -55.32 -39.22 92.19 Favored 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 122.102 1.868 . . . . 0.0 112.26 177.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.38 83.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.397 . . . . 0.0 110.687 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB3' HD22 ' A' ' 49' ' ' LEU . 78.3 mt-30 -62.24 -51.56 67.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.655 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.53 86.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.26 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -45.64 83.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.193 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -62.45 -26.53 68.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.8 -50.72 67.87 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.2 mt -56.03 -32.46 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.528 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -68.98 -70.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.73 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -103.74 -41.28 5.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 m -127.46 124.99 39.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -164.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.417 ' HA ' ' CZ2' ' A' ' 79' ' ' TRP . 13.8 p -114.48 101.24 8.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.423 . . . . 0.0 109.895 175.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.6 125.17 0.38 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.185 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.0 tp -167.67 131.82 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.608 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 2.1 p30 -110.33 148.05 32.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 168.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.517 ' HA ' HD11 ' A' ' 40' ' ' ILE . 27.0 m -119.92 19.6 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.831 -171.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.68 -172.2 32.45 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.247 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.02 97.93 5.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.965 0.412 . . . . 0.0 110.705 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.22 3.15 56.73 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.698 -0.683 . . . . 0.0 113.02 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -131.74 140.98 49.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.228 0.537 . . . . 0.0 111.059 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 70' ' ' ASP . 35.9 p90 -137.94 170.27 16.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.784 -175.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.536 HD22 ' HG2' ' A' ' 36' ' ' GLU . 31.9 tp -136.6 112.22 9.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.588 177.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -132.06 139.74 48.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.021 0.438 . . . . 0.0 111.121 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.417 ' CZ2' ' HA ' ' A' ' 67' ' ' CYS . 18.3 p90 -135.85 146.81 47.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.691 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -140.25 151.2 44.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.857 0.36 . . . . 0.0 110.467 175.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.18 118.11 15.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.565 -174.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.499 174.689 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.517 ' HB2' ' HB ' ' A' ' 26' ' ' THR . 19.4 pm0 . . . . . 0 N--CA 1.447 -0.611 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.11 -177.37 6.42 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.972 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -121.25 134.32 55.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.444 0.64 . . . . 0.0 110.826 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.594 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 9.4 m-85 -109.03 138.11 45.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.939 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.8 m -89.63 100.08 10.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 172.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.446 HG21 HD13 ' A' ' 29' ' ' LEU . 91.4 t -92.72 114.07 28.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.699 -174.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.8 mt -97.99 110.69 23.22 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.334 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 C--N 1.318 -0.795 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.506 178.503 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.8 p90 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -146.78 159.77 43.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.886 178.721 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.464 ' HB ' ' HG3' ' A' ' 9' ' ' GLN . 35.7 p -76.78 162.35 27.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.805 0.336 . . . . 0.0 111.621 -176.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 9' ' ' GLN . 5.4 m -50.82 -41.51 57.58 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.198 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.4 -43.73 97.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.749 0.309 . . . . 0.0 110.629 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.48 -43.15 98.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.491 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.446 HD13 HG21 ' A' ' 14' ' ' VAL . 65.4 tp -63.92 -39.06 93.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.758 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.498 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -58.4 -49.95 75.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.73 -33.17 70.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.746 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HG2' ' OE1' ' A' ' 36' ' ' GLU . 64.5 tttm -64.12 -52.5 58.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.908 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.7 mt -56.36 -44.49 80.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.243 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 8.3 mtmp? -55.51 -49.93 71.28 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.321 -178.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.28 -43.97 97.68 Favored Glycine 0 C--O 1.235 0.217 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 48.2 mt-10 -71.38 -33.03 69.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.743 0.306 . . . . 0.0 110.682 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.9 tp -72.55 -42.72 64.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.952 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.51 -20.71 62.01 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.454 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 19.7 pttp -89.9 3.59 52.55 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.981 0.42 . . . . 0.0 110.398 175.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mp -93.15 145.52 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.407 ' HB2' ' OD1' ' A' ' 44' ' ' ASP . 21.5 m -68.39 137.31 54.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.675 0.274 . . . . 0.0 110.341 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -57.98 -27.62 63.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.425 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 m -67.14 -27.54 67.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.224 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.407 ' OD1' ' HB2' ' A' ' 41' ' ' SER . 5.3 m-20 -86.96 -34.94 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.803 -174.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 pp -76.43 151.03 82.96 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.557 0.218 . . . . 0.0 111.166 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.586 ' HD2' HD12 ' A' ' 49' ' ' LEU . 93.0 Cg_exo -45.94 148.8 2.54 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.967 3.112 . . . . 0.0 114.22 -178.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.8 -38.23 87.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.529 -176.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -66.22 -30.21 70.62 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.632 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.586 HD12 ' HD2' ' A' ' 46' ' ' PRO . 36.9 mt -73.42 -28.23 61.87 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 176.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.39 -29.06 68.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.055 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -76.71 -32.74 58.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.568 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.65 109.42 9.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.604 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -76.2 -20.44 57.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.878 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -90.92 125.62 35.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.221 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.575 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 19.6 tp -63.9 -47.86 79.85 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.635 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 15.1 Cg_endo -56.31 -34.27 93.48 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.179 1.919 . . . . 0.0 112.319 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.47 92.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.706 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -64.8 -49.88 68.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.404 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.35 96.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.957 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.469 ' HG2' HD21 ' A' ' 30' ' ' LEU . 3.7 mm-40 -60.77 -43.74 97.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 176.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -55.97 -46.4 78.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.182 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -55.22 -53.73 52.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.826 178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.588 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 80.7 mt -55.04 -39.7 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.706 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -84.43 -16.75 41.52 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -174.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.7 p -105.23 -63.87 1.19 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 m -154.47 159.78 41.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.879 0.371 . . . . 0.0 111.839 -172.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 78' ' ' GLN . 11.7 t -102.53 104.08 14.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.892 175.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -171.64 117.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.701 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.4 tp -166.76 135.34 2.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.881 0.372 . . . . 0.0 110.661 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -98.1 112.83 24.65 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 172.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.507 HG23 ' HB2' ' A' ' 75' ' ' LYS . 18.9 m -91.3 19.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.855 0.36 . . . . 0.0 111.715 -172.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 74.15 174.82 31.73 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.351 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.89 14.93 8.74 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.042 0.537 . . . . 0.0 111.665 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.39 18.37 66.69 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.085 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HB2' HG23 ' A' ' 71' ' ' VAL . 43.7 mtmt -108.76 143.8 37.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.022 0.439 . . . . 0.0 110.776 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -108.59 157.63 18.32 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.4 tp -129.4 118.26 21.9 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.467 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.452 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 26.0 mt-30 -113.52 130.77 56.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.644 171.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.588 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 24.8 p90 -137.99 122.31 18.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.208 0.528 . . . . 0.0 109.902 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -141.34 131.95 25.53 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.188 0.518 . . . . 0.0 110.329 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . . . -75.71 135.07 40.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.777 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.318 -0.793 0 CA-C-O 122.112 0.958 . . . . 0.0 109.594 177.844 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.521 ' HG2' HG22 ' A' ' 25' ' ' THR . 34.3 tt0 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.234 0.54 . . . . 0.0 109.869 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -112.24 176.99 4.79 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.539 -176.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -108.65 135.93 49.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.045 0.45 . . . . 0.0 110.891 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.11 134.45 53.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.959 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.9 t -87.75 107.33 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.541 HG21 HD13 ' A' ' 29' ' ' LEU . 43.4 t -100.89 104.24 15.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.073 0.463 . . . . 0.0 110.267 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.448 ' HB2' ' HE2' ' A' ' 80' ' ' TYR . 74.8 mt -93.13 102.24 14.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.043 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.9 p90 . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -140.58 163.16 33.6 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.05 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.521 HG22 ' HG2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -80.55 170.45 16.33 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.602 -173.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 m -51.65 -49.16 62.86 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -173.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 mm -67.11 -46.18 85.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.961 0.41 . . . . 0.0 111.297 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -63.05 -36.86 84.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.008 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.541 HD13 HG21 ' A' ' 14' ' ' VAL . 47.5 tp -66.51 -38.05 86.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.395 175.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -46.47 87.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.569 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 36.9 mt-10 -66.97 -35.49 80.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.587 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -67.15 -48.33 68.36 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.216 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 33' ' ' LEU . 29.3 mt -64.79 -39.07 93.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.624 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 14.1 ptmm? -66.18 -27.21 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.605 -178.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -75.08 -50.62 8.35 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.583 -0.817 . . . . 0.0 111.696 175.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.531 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -59.85 -39.76 86.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 177.691 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD22 HD11 ' A' ' 62' ' ' LEU . 58.3 tp -69.87 -41.32 74.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.444 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 15.7 pt-20 -71.89 -21.64 61.61 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.356 -175.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -88.43 -4.87 58.56 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.654 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.531 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -93.47 143.05 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 174.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.04 141.09 57.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.555 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 91.0 m-85 -63.39 -29.22 70.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.976 -178.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 p -71.31 -14.74 62.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.509 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.17 -39.31 10.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.449 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' A' ' 49' ' ' LEU . 4.0 pp -74.23 156.49 87.46 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.869 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.587 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 17.1 Cg_endo -58.41 149.55 73.71 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.034 2.489 . . . . 0.0 113.147 -177.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.52 -30.3 71.18 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.305 -173.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 52.6 mm-40 -60.04 -33.85 72.6 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.175 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.731 ' HB2' HD13 ' A' ' 45' ' ' LEU . 42.1 mt -70.33 -33.96 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.008 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.87 -27.31 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 110.506 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -80.24 -27.21 38.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.506 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 78.2 mt -77.02 123.53 26.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.189 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.27 -37.09 74.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.863 -174.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 28.2 m -100.37 137.9 38.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 -175.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.563 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -61.22 -47.6 93.98 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.472 176.382 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 7.4 Cg_endo -50.72 -39.75 56.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.008 1.806 . . . . 0.0 111.89 174.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -42.8 91.04 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.458 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.506 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 77.6 mt-30 -59.68 -55.52 33.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.212 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.525 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.3 -33.96 75.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.458 -176.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -64.56 -40.95 96.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.645 177.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -68.12 -29.59 68.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.667 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 49' ' ' LEU . 95.8 mt -61.78 -50.36 72.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.096 174.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.64 -38.74 79.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.756 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.87 -43.14 99.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.888 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.68 ' O ' ' HB2' ' A' ' 66' ' ' SER . 20.9 p -96.9 -81.53 0.42 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.68 ' HB2' ' O ' ' A' ' 65' ' ' THR . 1.9 t 149.91 169.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.281 1.432 . . . . 0.0 108.041 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.471 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 46.3 t -173.54 147.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.808 0.337 . . . . 0.0 110.489 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.82 117.08 31.33 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 172.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.3 tp -127.19 134.0 50.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.057 -170.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 3.4 p-10 -101.15 135.93 41.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 171.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.6 m -103.12 16.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.202 -173.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.63 145.21 16.14 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.768 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 75' ' ' LYS . . . 64.41 28.33 13.6 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.066 0.547 . . . . 0.0 111.65 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.2 0.2 90.06 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.115 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 73' ' ' ALA . 37.6 mtmm -83.69 128.52 34.59 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 70' ' ' ASP . 42.7 m-85 -107.99 147.98 30.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.251 0.548 . . . . 0.0 111.21 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.3 tp -118.24 124.93 49.07 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.797 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -137.51 130.23 30.05 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.471 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 29.0 p90 -108.12 128.99 55.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.211 0.529 . . . . 0.0 109.751 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.448 ' HE2' ' HB2' ' A' ' 15' ' ' LEU . 87.5 m-85 -102.35 110.44 22.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.651 -177.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.92 110.48 15.34 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 170.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.318 -0.777 0 CA-C-O 121.435 0.636 . . . . 0.0 110.568 -174.846 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.945 0.402 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -86.84 176.53 7.65 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.638 HD22 ' H ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -122.87 135.47 54.53 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.237 0.541 . . . . 0.0 110.413 -178.116 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 31.9 m-85 -125.21 136.0 53.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.104 -175.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -87.31 105.21 14.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.575 0.702 . . . . 0.0 109.999 177.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.466 HG21 HD12 ' A' ' 24' ' ' LEU . 72.0 t -88.0 133.18 31.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.141 -176.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.9 mt -119.39 107.2 13.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.505 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.13 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.0 p90 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.155 0.502 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.535 HD12 HD13 ' A' ' 29' ' ' LEU . 13.2 mt -113.31 149.06 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.824 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.18 175.15 9.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 170.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -54.69 -43.74 72.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -71.52 -46.94 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 110.862 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -57.36 -40.81 78.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.191 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.535 HD13 HD12 ' A' ' 24' ' ' LEU . 29.9 tp -72.85 -35.94 67.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.378 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 12.3 mt -55.64 -57.08 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.828 175.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.471 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 41.8 mt-10 -62.32 -30.42 71.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.354 -177.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -67.99 -48.5 65.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.901 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.87 -39.27 90.55 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.362 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 9.7 mtpm? -57.42 -44.48 84.64 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.498 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -73.76 -42.46 38.82 Favored Glycine 0 C--O 1.238 0.353 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.245 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -58.56 -43.89 89.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.881 -0.659 . . . . 0.0 109.938 177.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.2 tp -70.6 -42.23 71.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.894 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.0 pt-20 -69.01 -23.14 64.05 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.688 -174.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -92.89 2.08 56.96 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.245 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mp -86.15 145.57 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 170.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 m -59.3 128.17 35.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.843 0.354 . . . . 0.0 110.765 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -68.54 -16.96 64.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.985 0.422 . . . . 0.0 110.896 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -95.42 10.15 37.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.799 175.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -114.69 -33.33 5.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.693 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.0 pp -65.63 151.72 94.09 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.483 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.15 158.77 8.76 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.568 2.845 . . . . 0.0 113.546 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 50' ' ' GLN . 40.1 tp -66.9 -28.24 68.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.521 -176.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -51.41 -44.36 62.23 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.304 0.573 . . . . 0.0 110.633 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.693 ' HB2' HD13 ' A' ' 45' ' ' LEU . 37.4 mt -77.97 -21.07 51.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.425 -176.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' HB2' HD12 ' A' ' 47' ' ' LEU . 47.8 mt-30 -78.05 -25.05 47.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.011 178.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.69 -34.6 40.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.246 0.546 . . . . 0.0 109.835 175.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.0 mt -73.36 140.47 46.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.245 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -100.14 -27.98 13.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.038 -177.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -93.58 131.51 38.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.933 0.397 . . . . 0.0 111.041 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.502 ' HA ' HE21 ' A' ' 58' ' ' GLN . 52.8 tp -59.29 -45.62 99.14 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.502 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 31.4 Cg_exo -58.54 -40.17 76.56 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.817 1.678 . . . . 0.0 111.76 176.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.84 92.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.874 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.502 HE21 ' HA ' ' A' ' 55' ' ' LEU . 49.0 mt-30 -61.04 -49.94 75.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.559 177.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.25 94.73 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.147 0.499 . . . . 0.0 110.92 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.7 -41.11 98.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.394 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.539 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 71.8 t60 -67.06 -26.04 66.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.777 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 58' ' ' GLN . 96.7 mt -61.23 -62.57 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 173.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.6 mt -56.88 -35.19 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 110.397 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.539 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 23.2 t70 -60.16 -38.49 83.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.966 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.0 p -129.68 -66.22 0.81 Allowed 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -173.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.6 m -110.72 132.06 54.52 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -164.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.497 ' HA ' ' CZ2' ' A' ' 79' ' ' TRP . 43.8 t -101.64 102.25 12.91 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -172.55 118.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.445 -174.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.557 HD23 HD23 ' A' ' 77' ' ' LEU . 28.7 tp -166.37 110.69 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.194 0.521 . . . . 0.0 110.767 175.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -91.41 101.51 14.18 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.5 HG21 ' HE3' ' A' ' 75' ' ' LYS . 26.9 m -85.56 -1.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.847 -171.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.39 -161.56 54.19 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.357 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 60.95 12.0 3.65 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.776 0.43 . . . . 0.0 111.733 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.31 1.65 74.9 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.225 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HE3' HG21 ' A' ' 71' ' ' VAL . 53.3 pttt -119.92 158.8 25.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.212 0.506 . . . . 0.0 111.216 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -119.43 170.8 8.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.081 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.557 HD23 HD23 ' A' ' 69' ' ' LEU . 58.2 tp -135.8 119.46 17.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.762 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -127.07 138.45 53.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.797 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.497 ' CZ2' ' HA ' ' A' ' 67' ' ' CYS . 38.5 p90 -140.74 126.61 19.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.06 0.457 . . . . 0.0 110.577 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -140.93 150.65 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.999 0.428 . . . . 0.0 110.554 175.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . . . -84.5 142.86 29.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.438 -176.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.318 -0.776 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.521 172.6 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.83 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 26.7 mt-30 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.815 0.341 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.55 ' O ' ' HA ' ' A' ' 25' ' ' THR . 12.3 p-10 -87.43 171.42 10.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.797 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.635 HD22 ' H ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -106.74 140.62 39.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.327 0.584 . . . . 0.0 111.996 -171.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 81' ' ' ALA . 77.0 m-85 -122.24 136.94 54.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.652 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 79' ' ' TRP . 59.8 t -87.52 107.62 17.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -87.49 117.75 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.39 0.614 . . . . 0.0 110.998 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.2 mt -108.41 101.92 11.07 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.72 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 C--N 1.318 -0.773 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 171.025 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.5 p90 . . . . . 0 N--CA 1.451 -0.415 0 CA-C-O 121.253 0.549 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.02 166.84 11.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.512 -177.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.83 ' HB ' ' HB3' ' A' ' 9' ' ' GLN . 44.7 p -84.86 171.51 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -173.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.84 -51.24 30.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.923 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.562 HD13 ' HG2' ' A' ' 9' ' ' GLN . 1.5 mp -63.94 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.317 -176.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.75 -43.05 76.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.604 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.1 tp -64.2 -38.34 90.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.627 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.47 -51.91 67.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.496 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -67.36 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.031 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.86 -50.74 69.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.931 0.396 . . . . 0.0 110.161 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.19 -39.42 94.6 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.933 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -57.75 -43.79 85.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.179 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.86 -46.59 91.3 Favored Glycine 0 C--O 1.236 0.267 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.526 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.571 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 29.2 mm-40 -68.57 -32.61 72.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 tp -71.23 -38.72 71.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.795 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -74.66 -15.09 60.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.881 0.372 . . . . 0.0 110.129 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -82.96 -14.47 54.02 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.032 0.444 . . . . 0.0 110.245 173.328 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.502 HD12 ' HG2' ' A' ' 39' ' ' LYS . 1.4 mp -93.24 141.01 15.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.415 178.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.65 153.06 40.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.165 -179.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -68.09 -25.5 65.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.284 0.564 . . . . 0.0 110.952 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 p -86.35 0.86 53.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.138 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.37 -21.26 10.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.335 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -82.88 147.62 55.18 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.782 0.325 . . . . 0.0 111.119 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.514 ' HD2' HD12 ' A' ' 49' ' ' LEU . 52.7 Cg_exo -54.14 154.97 16.55 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.571 2.847 . . . . 0.0 113.45 -178.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.5 tp -61.63 -31.21 71.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.027 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -54.6 -41.12 69.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.309 0.576 . . . . 0.0 110.706 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.568 ' HB2' HD13 ' A' ' 45' ' ' LEU . 34.2 mt -75.26 -16.31 60.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.54 -176.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -83.69 -21.31 32.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.285 0.564 . . . . 0.0 110.145 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -82.11 -26.87 33.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.153 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 92.3 mt -87.41 106.79 18.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.503 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.42 -6.38 49.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.701 -174.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -112.95 124.28 52.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.599 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 34.4 tp -55.77 -49.37 93.21 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.945 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.6 Cg_endo -57.36 -37.5 97.4 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.931 1.754 . . . . 0.0 112.472 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.71 78.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.895 0.378 . . . . 0.0 110.793 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.552 ' HB3' HD22 ' A' ' 49' ' ' LEU . 78.9 mt-30 -60.58 -51.39 69.6 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.153 176.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -65.81 -33.17 75.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.113 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.5 tm0? -65.64 -43.29 89.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -55.94 -38.18 69.98 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.148 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.465 ' HB3' ' CZ2' ' A' ' 79' ' ' TRP . 93.7 mt -60.82 -58.88 6.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.035 175.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.449 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 90.8 mt -49.92 -41.45 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.303 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.37 -59.8 3.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 t -133.65 -22.18 1.92 Allowed 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -168.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.3 m -121.34 123.95 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.393 -0.817 . . . . 0.0 111.462 -172.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 61.8 m -126.63 101.92 6.86 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.481 -176.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -173.97 138.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.766 173.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.7 tp -159.6 111.22 2.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.905 0.383 . . . . 0.0 110.975 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -79.05 104.66 9.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.411 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.558 HG23 ' HE3' ' A' ' 75' ' ' LYS . 15.8 m -100.64 19.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.513 -174.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.574 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 115.49 140.42 7.07 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.525 172.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 62.42 16.56 8.72 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.15 5.39 73.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.802 -0.714 . . . . 0.0 113.249 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 51.4 pttt -91.42 143.84 26.2 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.463 176.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -116.24 133.7 55.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.016 -175.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.427 HD22 ' HG3' ' A' ' 36' ' ' GLU . 34.3 tp -87.54 112.63 22.45 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 173.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -115.47 157.68 23.64 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.463 -173.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.465 ' CZ2' ' HB3' ' A' ' 62' ' ' LEU . 29.0 p90 -160.46 147.62 15.88 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.684 0.278 . . . . 0.0 110.53 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -140.99 147.45 38.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.961 170.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.444 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -86.93 114.02 23.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.061 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.476 0.655 . . . . 0.0 109.908 175.089 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.409 HE21 ' HB ' ' A' ' 25' ' ' THR . 21.9 mt-30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.573 0.225 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.47 155.28 39.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.711 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -106.9 123.71 48.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.102 0.477 . . . . 0.0 110.36 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -113.55 134.05 54.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.92 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.532 HG22 ' HB3' ' A' ' 23' ' ' PHE . 80.9 t -88.64 107.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.1 t -92.36 115.39 31.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.939 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.7 mt -91.05 105.4 17.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.246 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.975 -178.893 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.532 ' HB3' HG22 ' A' ' 13' ' ' VAL . 15.8 p90 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.973 0.416 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -115.14 165.24 13.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.176 -178.747 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.409 ' HB ' HE21 ' A' ' 9' ' ' GLN . 78.1 p -82.7 170.47 15.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.684 0.278 . . . . 0.0 111.306 -175.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 m -52.04 -42.7 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.664 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 47.0 mm -64.45 -44.33 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.189 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 4.6 mm-40 -66.45 -38.17 86.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.277 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.83 -41.75 99.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.205 176.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 31.7 mt -53.86 -50.61 65.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.991 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.36 -39.39 94.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.271 -176.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -63.22 -48.98 75.99 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.878 176.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.33 -47.68 84.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.761 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -59.74 -42.42 93.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.632 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.69 -51.11 59.71 Favored Glycine 0 C--O 1.237 0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.561 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -68.48 -35.59 77.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.905 0.383 . . . . 0.0 110.237 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -67.08 -39.4 86.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.516 -177.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.46 -28.53 62.99 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.022 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.89 3.07 49.84 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.871 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.519 HG22 HD23 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -93.71 144.34 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 172.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.447 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 27.4 t -63.78 147.59 51.36 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.02 -21.74 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.548 -174.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.9 p -95.94 -6.03 40.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.155 0.502 . . . . 0.0 110.763 176.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.447 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 33.9 t70 -91.42 -25.05 19.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.143 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -88.7 151.39 47.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.75 177.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.524 ' HD2' HD12 ' A' ' 49' ' ' LEU . 52.0 Cg_exo -55.62 155.67 20.82 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.418 2.745 . . . . 0.0 113.597 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 56.6 tp -60.07 -30.26 69.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.194 -177.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -52.67 -45.49 66.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.43 0.633 . . . . 0.0 110.504 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.756 ' HB2' HD13 ' A' ' 45' ' ' LEU . 21.3 mt -80.85 -14.06 58.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.047 -175.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -80.76 -27.58 36.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.853 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 35.7 mmtp -78.41 -35.76 46.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.912 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 58' ' ' GLN . 76.1 mt -77.84 112.68 14.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.064 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.67 -43.31 94.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.417 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -96.1 126.17 41.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.535 -170.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.558 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 49.3 tp -52.18 -47.27 92.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.442 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.8 Cg_endo -53.53 -35.61 77.26 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 122.314 2.01 . . . . 0.0 112.611 176.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.76 -36.15 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.491 ' HB3' HD22 ' A' ' 49' ' ' LEU . 78.0 mt-30 -58.14 -54.8 42.83 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.624 178.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -66.5 -28.85 68.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.082 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.29 -40.48 81.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.29 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 31.2 t60 -68.67 -26.87 65.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.46 178.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.423 HD22 ' CB ' ' A' ' 67' ' ' CYS . 72.9 mt -60.15 -53.54 56.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 174.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.35 -33.67 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.236 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 12.3 t70 -55.76 -47.51 76.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.181 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.4 p -106.93 -76.54 0.61 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.416 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.9 p 162.37 163.23 0.02 OUTLIER 'General case' 0 C--O 1.232 0.182 0 C-N-CA 124.009 0.923 . . . . 0.0 108.947 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.498 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 45.9 t -171.26 144.07 1.97 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.933 0.396 . . . . 0.0 110.794 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -104.74 116.37 31.92 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.2 tp -125.49 124.25 40.95 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.726 -0.389 . . . . 0.0 111.691 -169.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.87 119.67 26.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 168.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.486 HG23 ' HG3' ' A' ' 75' ' ' LYS . 15.8 m -105.98 10.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -176.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 66.56 -166.8 38.28 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.987 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.05 17.32 10.04 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.985 0.514 . . . . 0.0 111.363 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.58 25.83 75.07 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.339 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 24.4 pttm -131.5 151.79 51.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.778 0.323 . . . . 0.0 110.486 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -110.57 159.58 17.42 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.4 tp -132.91 112.21 11.7 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -137.94 149.14 45.92 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.498 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 33.4 p90 -129.97 138.31 50.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.429 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -138.17 137.71 37.89 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 172.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.04 131.09 38.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.277 -175.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.507 0.67 . . . . 0.0 110.404 175.767 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -73.33 129.82 14.38 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.344 2.029 . . . . 0.0 112.096 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -87.85 155.82 52.8 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 172.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' HB2' HD23 ' A' ' 5' ' ' LEU . 4.7 Cg_endo -47.7 -71.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.761 2.307 . . . . 0.0 112.361 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 4' ' ' PRO . 2.6 pt? -178.38 179.06 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 71.0 mtm -89.78 -37.68 14.34 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.135 0.493 . . . . 0.0 110.122 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -85.65 47.16 1.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.208 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' HG2' HD23 ' A' ' 5' ' ' LEU . 24.5 mt-30 -62.18 -37.07 83.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.537 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.562 ' HA ' ' OG1' ' A' ' 26' ' ' THR . 23.5 mt-30 -92.85 103.88 16.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.077 -177.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.48 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.5 t70 -113.38 -160.06 0.71 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -105.98 116.2 31.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.245 0.545 . . . . 0.0 110.145 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' A' ' 81' ' ' ALA . 30.4 m-85 -104.44 127.2 52.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.687 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 t -86.59 100.12 9.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' A' ' 24' ' ' LEU . 86.0 t -94.07 123.62 46.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.827 -175.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.552 HD23 ' H ' ' A' ' 21' ' ' GLU . 67.0 mt -101.28 102.27 13.11 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.108 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.573 ' HB3' ' H ' ' A' ' 19' ' ' GLN . 2.8 tm-20 -94.64 151.24 19.46 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 176.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.507 ' OG1' ' HB2' ' A' ' 75' ' ' LYS . 15.5 m -64.38 -23.14 67.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.137 0.494 . . . . 0.0 110.756 -178.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -99.42 -45.88 5.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.748 176.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.573 ' H ' ' HB3' ' A' ' 16' ' ' GLU . 10.1 mm100 -118.83 91.11 42.07 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-O 121.135 0.493 . . . . 0.0 112.111 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -83.87 159.58 13.94 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 123.653 2.902 . . . . 0.0 112.296 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.552 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER 56.56 74.72 0.39 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.897 175.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -134.64 138.16 44.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.913 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -101.07 114.48 28.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.105 0.479 . . . . 0.0 111.183 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.531 HD21 ' HB ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -140.87 157.66 45.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.483 176.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 42.4 p -81.42 172.85 13.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.698 -176.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.562 ' OG1' ' HA ' ' A' ' 9' ' ' GLN . 2.0 m -54.88 -38.55 67.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.852 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.24 -40.73 78.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.388 . . . . 0.0 110.747 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 36.9 mt-10 -66.35 -39.65 89.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.141 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.53 -44.15 95.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.216 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -54.97 -49.33 71.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.587 177.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.19 -39.77 76.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.99 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -68.2 -46.11 71.52 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.432 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.04 -52.46 62.72 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.862 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 9.8 ptmm? -60.61 -24.08 65.22 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.914 -0.491 . . . . 0.0 111.489 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.51 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -75.45 -49.09 9.59 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.29 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.481 ' OE1' HG12 ' A' ' 71' ' ' VAL . 2.7 pp20? -72.5 -36.01 68.28 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.04 -0.682 . . . . 0.0 110.445 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 tp -65.64 -36.31 83.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 9.6 pt-20 -69.3 -29.61 67.51 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.254 -0.579 . . . . 0.0 109.787 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 67.0 mttm -71.6 -40.48 69.83 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.524 173.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 71' ' ' VAL . 1.4 mp -59.16 134.96 24.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.146 175.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.6 t -58.09 135.48 57.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 50' ' ' GLN . 32.1 t80 -68.4 -17.7 64.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.916 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.9 m -94.74 5.75 50.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.357 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -115.63 -26.43 7.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.031 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.4 pp -78.54 160.9 71.48 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.475 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD2' HD12 ' A' ' 49' ' ' LEU . 72.3 Cg_exo -51.8 156.68 6.48 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.674 2.916 . . . . 0.0 113.84 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HA ' HE21 ' A' ' 50' ' ' GLN . 44.1 tp -70.17 -30.8 68.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.884 -174.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.28 -36.09 72.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.069 0.461 . . . . 0.0 110.394 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.714 ' HB2' HD13 ' A' ' 45' ' ' LEU . 37.6 mt -74.68 -23.24 58.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.293 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 51.9 mt-30 -80.13 -19.19 47.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.812 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -82.31 -30.25 30.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.231 0.538 . . . . 0.0 109.99 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.2 mt -76.3 143.51 40.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.933 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -105.82 -25.36 12.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.914 0.388 . . . . 0.0 110.537 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.6 m -90.93 136.17 33.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.977 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.558 ' HA ' HE21 ' A' ' 58' ' ' GLN . 62.1 tp -63.53 -50.72 71.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.29 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 12.4 Cg_endo -57.06 -34.66 98.11 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.015 1.81 . . . . 0.0 112.366 177.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.59 92.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.558 HE21 ' HA ' ' A' ' 55' ' ' LEU . 50.4 mt-30 -60.59 -55.96 27.03 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.617 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.68 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.012 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -63.53 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.672 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.574 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 65.4 t60 -71.82 -28.54 63.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.615 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 87.3 mt -61.78 -49.87 74.64 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.22 0.533 . . . . 0.0 110.03 173.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.56 -34.77 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.245 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.574 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 11.6 t70 -58.92 -58.71 7.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.19 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.8 t -162.34 77.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.916 0.865 . . . . 0.0 111.405 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.55 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 70.7 m -151.48 177.54 10.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.644 172.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.03 -148.19 0.39 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.48 ' CD ' ' H ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -95.46 164.43 12.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.714 0.292 . . . . 0.0 110.393 -175.461 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.04 162.17 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.07 0.462 . . . . 0.0 111.023 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.56 122.37 35.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.838 177.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.481 HG12 ' OE1' ' A' ' 36' ' ' GLU . 30.8 m -86.22 -3.07 8.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.405 -174.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.71 177.83 29.58 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.497 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.28 13.49 8.0 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 123.008 0.523 . . . . 0.0 111.654 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.05 -18.79 56.05 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HB2' ' OG1' ' A' ' 17' ' ' THR . 46.3 pttt -93.97 173.33 7.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.992 0.425 . . . . 0.0 110.683 -178.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -141.37 170.98 14.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -173.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 56.7 tp -135.82 118.62 16.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.312 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.55 ' HG3' ' HB2' ' A' ' 15' ' ' LEU . 10.3 pt20 -129.6 149.57 51.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.305 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -147.29 146.19 29.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.385 -176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -140.55 143.77 35.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.895 0.379 . . . . 0.0 109.987 174.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.544 ' HB1' ' HD3' ' A' ' 83' ' ' ARG . . . -98.58 129.7 45.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -178.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.1 m -89.06 103.84 14.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.32 0.581 . . . . 0.0 109.901 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.544 ' HD3' ' HB1' ' A' ' 81' ' ' ALA . 31.6 mmm-85 -124.19 145.35 49.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.147 -175.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.425 ' HB3' ' HG2' ' A' ' 86' ' ' LYS . 90.4 mt 57.94 88.56 0.06 Allowed 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.786 0.679 . . . . 0.0 111.694 177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 89' ' ' HIS . 7.1 tp10 -82.09 67.39 8.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.646 0.736 . . . . 0.0 109.048 175.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' HG2' ' HB3' ' A' ' 84' ' ' LEU . 14.4 mmmm -77.96 -13.1 60.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.091 -174.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.9 tp -91.01 111.15 22.49 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 75.88 -23.57 0.24 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.915 0.759 . . . . 0.0 111.56 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.412 ' HA ' ' O ' ' A' ' 85' ' ' GLU . 28.5 m-70 62.96 69.34 0.59 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.476 0.655 . . . . 0.0 109.972 -174.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -97.38 127.14 43.08 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.14 -175.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -86.68 172.01 10.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.44 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -69.56 146.83 51.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.02 0.438 . . . . 0.0 111.321 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -58.81 -54.67 44.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.167 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 . . . . . 0 C--O 1.246 0.88 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.752 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.94 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 25.5 ttt . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 119.49 -0.29 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.94 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 6.0 Cg_exo -79.42 -69.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 121.824 1.683 . . . . 0.0 110.987 175.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -130.0 157.18 77.71 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -63.12 -164.84 0.05 OUTLIER 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.077 2.518 . . . . 0.0 112.97 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -50.07 143.94 7.51 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.323 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 6' ' ' MET . 9.2 mmt -65.42 -28.55 69.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.841 -176.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -88.95 44.65 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.626 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -82.25 55.9 3.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.667 0.746 . . . . 0.0 111.07 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -142.77 100.26 3.63 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.942 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -97.27 -167.04 1.47 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.251 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.463 HD22 HG23 ' A' ' 82' ' ' VAL . 10.7 t30 -113.9 123.31 49.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.137 0.494 . . . . 0.0 111.91 -170.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -120.6 140.33 51.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.619 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.424 HG22 ' CD1' ' A' ' 23' ' ' PHE . 84.9 t -102.33 107.54 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.521 HG21 HD21 ' A' ' 24' ' ' LEU . 81.6 t -94.47 127.89 46.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.297 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.3 mt -118.65 102.63 9.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.392 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -106.65 163.38 12.95 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.0 m -69.7 -24.16 63.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.293 0.568 . . . . 0.0 110.099 175.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -84.46 -48.98 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.944 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.23 107.62 9.5 Favored Pre-proline 0 C--O 1.234 0.275 0 CA-C-O 120.699 0.285 . . . . 0.0 110.904 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -85.8 169.07 9.32 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 123.207 2.605 . . . . 0.0 112.278 174.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 56.34 41.39 29.11 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.386 176.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' HG3' HD23 ' A' ' 24' ' ' LEU . 5.8 tp-100 -91.55 102.98 15.63 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 176.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' CD1' HG22 ' A' ' 13' ' ' VAL . 67.9 m-85 -92.64 101.77 14.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.552 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 1.7 pp -125.4 178.07 5.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.842 0.353 . . . . 0.0 111.522 -176.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.2 p -96.05 173.45 7.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.58 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 m -52.51 -43.27 64.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.799 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -66.96 -38.46 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.149 -176.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 40.8 mt-10 -71.96 -35.03 69.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.011 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 79' ' ' TRP . 57.1 tp -63.26 -39.94 96.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.086 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.8 mt -54.86 -51.46 65.86 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.773 175.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -56.15 -42.19 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.151 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -62.59 -55.11 30.25 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.726 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.451 HD22 HD13 ' A' ' 62' ' ' LEU . 45.1 mt -57.35 -44.58 84.42 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -56.38 -51.45 68.27 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -66.2 -46.77 77.23 Favored Glycine 0 C--O 1.24 0.525 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.572 ' O ' HD13 ' A' ' 40' ' ' ILE . 5.3 mm-40 -69.96 -18.93 63.37 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 122.718 -0.284 . . . . 0.0 110.934 -178.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.2 tp -86.37 -42.75 13.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.84 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.4 pt-20 -64.84 -24.44 67.54 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.409 -177.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -81.3 -8.88 59.82 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.41 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -92.01 146.76 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 m -64.8 130.71 44.52 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 110.634 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -69.5 -10.93 60.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.459 -175.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 p -88.82 -13.91 38.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.74 -36.97 9.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.082 -175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.854 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.9 pp -60.82 155.23 53.79 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.614 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 11.3 Cg_endo -54.88 151.08 34.6 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.216 2.611 . . . . 0.0 113.624 -175.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.05 -29.82 63.75 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.088 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 15.7 mm-40 -48.92 -51.11 31.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.178 0.513 . . . . 0.0 110.707 173.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.854 ' HB2' HD13 ' A' ' 45' ' ' LEU . 28.5 mt -73.51 -26.24 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.585 -175.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -70.95 -36.55 72.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 48' ' ' GLU . 41.7 mtmt -74.74 -28.75 60.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.906 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.436 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 84.2 mt -70.61 126.73 30.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.197 0.522 . . . . 0.0 110.487 176.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -82.49 -18.89 40.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.74 -171.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.8 m -118.67 136.07 54.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.816 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 46.3 tp -59.18 -48.72 95.82 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.785 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.0 Cg_endo -55.45 -36.58 94.41 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.071 1.848 . . . . 0.0 112.264 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.73 84.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.773 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.524 ' HB3' HD22 ' A' ' 49' ' ' LEU . 79.4 mt-30 -60.8 -51.05 70.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.284 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -65.29 -35.02 79.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.004 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.65 -37.66 82.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 37.0 t60 -71.02 -26.85 63.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 110.451 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 59' ' ' ALA . 68.5 mt -59.58 -54.92 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 173.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.2 -37.43 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.419 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 9.8 t70 -51.9 -48.53 64.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.645 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.8 p -105.5 -72.6 0.71 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.719 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.3 m 144.11 126.59 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.236 1.814 . . . . 0.0 108.794 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.51 ' HB3' ' CD2' ' A' ' 62' ' ' LEU . 42.0 t -155.13 123.5 5.96 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -93.17 129.1 39.3 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.201 0.524 . . . . 0.0 109.862 -169.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.9 tp -116.97 127.25 54.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.711 -163.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -81.71 115.87 21.16 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 169.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.586 HG23 ' HG3' ' A' ' 75' ' ' LYS . 11.3 m -107.47 27.89 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -170.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.58 170.35 43.9 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.819 174.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.95 5.6 2.44 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.001 0.52 . . . . 0.0 111.822 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.77 5.12 88.38 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.449 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.586 ' HG3' HG23 ' A' ' 71' ' ' VAL . 42.7 pttt -97.27 140.8 31.2 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -107.04 138.87 42.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.114 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.402 HD23 HD23 ' A' ' 33' ' ' LEU . 38.4 tp -93.67 112.55 24.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.776 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -125.28 139.21 53.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.423 -176.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.425 ' CD1' HD21 ' A' ' 29' ' ' LEU . 15.2 p90 -144.62 139.64 28.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.823 0.344 . . . . 0.0 110.184 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -116.88 135.57 53.63 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.03 111.41 19.27 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.463 HG23 HD22 ' A' ' 11' ' ' ASN . 11.4 m -132.55 110.03 15.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.258 0.552 . . . . 0.0 109.692 -177.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -130.33 156.23 45.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.7 -171.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.5 tp 62.21 90.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.132 177.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' OE2' ' HG3' ' A' ' 86' ' ' LYS . 10.9 tp10 -126.27 158.99 34.32 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 173.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HG3' ' OE2' ' A' ' 85' ' ' GLU . 32.9 mttp -62.8 103.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.054 0.454 . . . . 0.0 111.117 -175.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.5 tp -126.56 84.22 2.24 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.299 0.571 . . . . 0.0 110.07 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -117.3 110.09 17.65 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.149 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -92.12 108.54 20.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.623 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -88.48 -158.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.482 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.5 m80 67.99 13.54 9.16 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 122.662 0.385 . . . . 0.0 111.864 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -71.36 -44.66 64.61 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -137.78 -37.91 0.59 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.669 -1.15 . . . . 0.0 107.969 166.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.2 p80 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.07 172.487 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.577 ' HB2' ' HD2' ' A' ' 2' ' ' PRO . 26.8 ptt? . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.577 ' HD2' ' HB2' ' A' ' 1' ' ' MET . 86.4 Cg_exo -45.65 122.11 4.64 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.558 2.172 . . . . 0.0 111.586 175.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 9.7 p-10 -55.58 123.36 50.52 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.338 -171.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.514 ' HD2' HD23 ' A' ' 5' ' ' LEU . 5.2 Cg_exo -79.83 -11.33 13.92 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 123.157 2.572 . . . . 0.0 111.903 175.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 7' ' ' TYR . 2.5 pt? -152.55 142.8 22.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.18 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.0 ttp -81.68 31.71 0.36 Allowed 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.877 0.846 . . . . 0.0 109.916 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.574 ' HB3' HD12 ' A' ' 5' ' ' LEU . 23.0 t80 -119.99 -4.25 10.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.26 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -151.26 97.81 2.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.289 -178.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -114.23 162.25 16.8 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.469 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -75.14 -178.37 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.54 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -124.12 122.81 38.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.132 0.492 . . . . 0.0 110.779 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 76.9 m-85 -100.92 144.38 29.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.092 -177.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.77 101.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.796 0.807 . . . . 0.0 108.826 171.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 19' ' ' GLN . 93.4 t -86.65 125.38 40.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.92 -175.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.2 mt -100.69 110.26 22.36 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 174.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.464 ' HG3' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -140.25 -174.69 4.01 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -174.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 75' ' ' LYS . 37.6 m -87.44 -36.36 17.75 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.357 0.598 . . . . 0.0 109.865 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.5 92.38 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.884 174.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -120.13 101.96 46.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -177.199 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.15 136.6 18.32 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.856 2.371 . . . . 0.0 113.802 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.892 ' HG3' ' HG2' ' A' ' 22' ' ' GLN . 9.3 tp10 76.12 -100.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.774 175.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.892 ' HG2' ' HG3' ' A' ' 21' ' ' GLU . 9.3 pt20 -160.83 -65.85 0.06 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -173.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.458 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 99.1 m-85 -133.75 149.65 51.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.606 0.241 . . . . 0.0 110.92 -173.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -138.65 143.25 39.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.871 0.367 . . . . 0.0 110.771 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.4 p -81.07 176.47 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.326 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 m -54.21 -40.47 67.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.582 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.0 -44.14 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 33.6 mt-10 -70.2 -36.78 74.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.541 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 tp -63.62 -37.97 89.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.344 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.6 mt -54.94 -54.45 42.59 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.609 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.51 -35.24 77.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -65.3 -51.97 57.19 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.055 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.65 -50.4 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.737 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HB3' HD21 ' A' ' 55' ' ' LEU . 49.7 mtpt -52.1 -52.96 48.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.259 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.64 -46.72 93.14 Favored Glycine 0 C--O 1.241 0.538 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.745 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.481 ' O ' HG13 ' A' ' 40' ' ' ILE . 44.5 mt-10 -75.22 -19.21 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.746 0.308 . . . . 0.0 110.718 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.08 -31.89 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.237 174.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -59.81 -38.46 82.04 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.189 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -78.91 -0.23 30.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.458 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 36' ' ' GLU . 65.5 mt -94.09 139.96 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.982 0.42 . . . . 0.0 110.572 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.407 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 46.6 t -73.4 148.14 43.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.475 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -66.45 -22.4 66.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.862 0.363 . . . . 0.0 110.434 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.1 t -88.08 3.57 48.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.112 0.482 . . . . 0.0 110.227 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -115.29 -30.65 6.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.411 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.3 pp -85.85 154.21 58.2 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 176.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.514 ' HD2' HD12 ' A' ' 49' ' ' LEU . 61.7 Cg_exo -53.52 153.15 18.94 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.467 2.778 . . . . 0.0 113.752 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.3 tp -62.42 -28.7 69.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.555 -176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.786 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 63.2 mm-40 -58.9 -42.35 89.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.277 0.56 . . . . 0.0 110.382 177.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.689 ' HB2' HD13 ' A' ' 45' ' ' LEU . 64.7 mt -72.96 -21.81 60.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.458 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.83 -32.24 63.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.786 ' HE2' ' HA ' ' A' ' 48' ' ' GLU . 43.8 mtmt -76.4 -25.08 54.16 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.944 0.402 . . . . 0.0 110.651 175.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.479 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 75.6 mt -79.18 106.88 11.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.268 0.556 . . . . 0.0 109.959 173.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.17 -29.11 70.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.839 -169.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -117.76 143.61 46.07 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.243 -173.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 10.6 tp -54.77 -51.5 78.4 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.588 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.0 Cg_endo -52.53 -39.98 73.41 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.224 1.949 . . . . 0.0 112.351 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.05 88.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.723 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.504 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 77.1 mt-30 -62.13 -56.27 20.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.616 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -63.18 -38.54 91.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.569 -177.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.68 -37.79 87.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.606 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 69.1 t60 -73.95 -26.01 60.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.542 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 58' ' ' GLN . 98.4 mt -59.86 -45.93 90.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 172.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.63 -25.39 34.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.966 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.606 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 42.2 m-20 -61.0 -45.51 94.51 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.086 0.47 . . . . 0.0 110.002 175.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 p -105.39 -82.17 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.81 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.8 m 144.87 138.65 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.103 1.761 . . . . 0.0 108.644 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 75.8 m -149.66 152.91 36.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.736 0.303 . . . . 0.0 110.476 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -96.25 117.03 29.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.5 tp -118.32 123.54 45.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.839 -169.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.55 108.04 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.637 HG23 ' HB2' ' A' ' 75' ' ' LYS . 2.5 m -102.64 21.75 2.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -171.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.29 149.89 25.97 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.582 -0.818 . . . . 0.0 113.274 171.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.64 11.8 7.03 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.289 0.636 . . . . 0.0 112.172 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.08 12.49 63.47 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.667 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.637 ' HB2' HG23 ' A' ' 71' ' ' VAL . 16.5 mtmt -79.06 134.54 36.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -113.68 122.22 46.49 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD13 ' HG3' ' A' ' 16' ' ' GLU . 56.6 tp -104.53 117.44 34.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.402 -175.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -137.4 146.9 44.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.599 171.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 33.1 p90 -133.5 136.47 45.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.917 0.389 . . . . 0.0 110.527 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -140.96 146.3 37.16 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . . . -96.4 132.49 41.87 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.054 0.454 . . . . 0.0 111.241 -175.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -84.15 103.1 11.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 172.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 83' ' ' ARG . 30.9 mtp-105 -124.97 166.19 16.77 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.637 -167.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.4 mt -78.09 -159.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.189 170.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.64 ' O ' ' HA ' ' A' ' 89' ' ' HIS . 43.9 mt-10 64.37 24.2 13.18 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.1 0.476 . . . . 0.0 109.763 -174.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -75.39 -47.73 26.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.87 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.524 ' O ' HD12 ' A' ' 87' ' ' LEU . 3.4 pp -76.25 130.34 38.03 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 56.19 52.44 10.28 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -174.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.64 ' HA ' ' O ' ' A' ' 85' ' ' GLU . 22.8 t-80 -51.39 99.68 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.714 -1.13 . . . . 0.0 112.629 -169.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 8.27 91.35 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.025 1.73 . . . . 0.0 114.211 175.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -156.58 116.26 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.48 0.657 . . . . 0.0 111.928 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -110.97 -39.01 4.93 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 166.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 64.58 97.32 0.04 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.743 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.7 t60 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.265 173.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -64.36 -35.38 50.67 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.908 2.405 . . . . 0.0 111.881 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -92.4 105.22 13.37 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.1 -25.76 5.73 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.564 2.176 . . . . 0.0 113.75 -172.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.62 HD12 ' HD2' ' A' ' 7' ' ' TYR . 34.1 tp -117.44 98.52 6.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.165 0.507 . . . . 0.0 111.236 -174.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -119.8 6.94 10.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.63 174.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.62 ' HD2' HD12 ' A' ' 5' ' ' LEU . 6.2 m-85 -89.56 -70.41 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.138 -174.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -150.81 119.31 6.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.577 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.579 ' HA ' HD21 ' A' ' 5' ' ' LEU . 1.8 mp0 -83.54 170.29 14.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.463 -176.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.64 148.21 51.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.955 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -105.63 137.38 43.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.483 . . . . 0.0 110.638 -175.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -110.58 140.59 44.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.998 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.6 t -86.29 114.78 26.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.005 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.578 HG13 HD11 ' A' ' 77' ' ' LEU . 88.8 t -104.42 105.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.19 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.5 mt -107.3 112.17 24.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.015 -176.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' H ' ' HB3' ' A' ' 20' ' ' PRO . 48.5 mt-10 -104.63 159.46 15.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.927 174.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.8 m -60.87 -40.49 93.17 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -100.23 -61.94 1.3 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -172.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -133.17 97.92 16.06 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 120.722 0.296 . . . . 0.0 110.223 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.495 ' HB3' ' H ' ' A' ' 16' ' ' GLU . 97.3 Cg_endo -85.75 149.51 9.84 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.745 2.297 . . . . 0.0 112.497 175.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -97.32 18.06 15.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 63.34 -86.15 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.876 -177.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -145.73 139.23 26.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.029 0.443 . . . . 0.0 110.871 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -134.91 174.6 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.276 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.531 HG22 ' HB2' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -80.95 163.86 23.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -176.533 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 m -52.48 -40.62 62.54 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.9 0.48 . . . . 0.0 112.255 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.96 -44.5 81.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.207 -174.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.42 -37.85 84.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.69 0.281 . . . . 0.0 110.543 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.22 -38.94 89.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.109 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -61.85 -48.41 80.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.083 178.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.575 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 41.4 mt-10 -68.01 -32.8 73.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.017 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -66.48 -53.0 40.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.213 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.22 -27.96 68.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.494 -177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 54.8 mtmt -62.13 -38.99 91.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.702 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.536 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -73.92 -44.08 31.94 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.136 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.533 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -57.34 -32.36 66.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.176 -0.512 . . . . 0.0 110.826 175.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 tp -84.68 -41.17 16.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.822 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.536 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.3 pt-20 -67.63 -23.78 65.39 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.418 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 59.4 pttt -83.87 2.46 38.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.376 0.608 . . . . 0.0 110.435 177.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.6 mp -108.99 143.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.265 174.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.5 t -59.45 133.58 56.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.721 0.296 . . . . 0.0 110.769 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.434 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . 93.2 m-85 -71.9 -9.8 58.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -93.96 -13.76 26.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.211 0.529 . . . . 0.0 109.738 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -99.69 -36.01 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.348 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.6 pp -63.28 160.45 40.81 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.14 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.547 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 87.5 Cg_exo -44.42 141.71 5.02 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.604 2.869 . . . . 0.0 113.684 -177.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.527 HD12 ' HE3' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -53.82 -40.79 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.026 -176.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.58 -32.54 70.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.353 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.791 ' HB2' HD13 ' A' ' 45' ' ' LEU . 25.4 mt -78.19 -20.36 52.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.274 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -76.66 -29.65 56.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.862 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.527 ' HE3' HD12 ' A' ' 47' ' ' LEU . 99.5 mttt -76.39 -34.24 58.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.427 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.7 mt -77.81 138.99 39.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -99.38 -29.81 12.56 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.272 -174.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 46.9 m -96.12 130.21 43.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.379 -176.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.56 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 6.6 mp -49.21 -48.39 73.9 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.654 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.0 Cg_endo -54.78 -28.36 57.13 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.284 1.99 . . . . 0.0 113.04 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.33 -40.96 22.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.379 0.609 . . . . 0.0 109.833 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 54' ' ' SER . 57.4 mt-30 -64.4 -47.97 77.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.489 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.48 76.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.453 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 13.3 tm0? -64.35 -42.76 96.06 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -53.42 -44.16 68.54 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.532 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.628 HD21 HD11 ' A' ' 49' ' ' LEU . 78.3 mt -55.99 -55.04 37.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.354 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.401 HD12 ' HG ' ' A' ' 30' ' ' LEU . 90.5 mt -59.61 -45.54 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.994 -176.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.12 -30.85 71.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.918 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 p -109.63 -81.88 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.609 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m 145.56 135.94 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.265 1.826 . . . . 0.0 108.188 -171.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 74.1 m -151.73 167.98 26.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -96.46 137.8 35.0 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 tp -151.36 113.21 4.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.672 0.272 . . . . 0.0 111.34 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -75.38 120.69 21.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 170.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 75' ' ' LYS . 29.2 m -102.84 20.22 3.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -170.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.538 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 92.27 156.54 32.85 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.592 171.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 67.31 -4.55 0.85 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.531 0.732 . . . . 0.0 112.284 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.07 7.97 67.38 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.049 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HG3' HG23 ' A' ' 71' ' ' VAL . 62.6 pttt -87.45 156.43 19.57 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -106.12 156.12 18.75 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.781 0.324 . . . . 0.0 110.807 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 14' ' ' VAL . 41.1 tp -147.57 125.84 12.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.217 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -145.15 152.65 40.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 172.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 23.1 p90 -128.77 140.76 51.57 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.868 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -140.47 144.92 36.32 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.58 120.16 27.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.123 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 m -88.12 102.81 13.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.707 0.765 . . . . 0.0 110.26 176.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -134.58 132.03 38.58 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.192 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 tt -130.17 96.82 4.27 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 13.1 mm-40 -69.63 -23.8 63.55 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.455 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' A' ' 85' ' ' GLU . 52.1 pttt 61.97 163.5 0.09 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.933 1.293 . . . . 0.0 112.959 176.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.6 tp 73.03 -59.24 0.57 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.708 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -75.79 148.19 38.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 -175.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -132.23 -19.01 2.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.209 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -75.1 87.98 2.42 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.225 0.536 . . . . 0.0 110.317 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -67.24 125.81 27.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.843 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -144.99 32.05 1.13 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.302 0.573 . . . . 0.0 110.638 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -166.11 -54.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.244 0.767 0 CA-C-N 114.977 -1.011 . . . . 0.0 108.579 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.95 157.82 53.93 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.477 2.118 . . . . 0.0 110.885 174.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.5 114.29 9.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -79.89 -10.96 13.99 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.054 2.503 . . . . 0.0 112.287 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 tp -87.05 57.36 4.46 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.517 0.675 . . . . 0.0 111.307 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.8 ptm -80.96 -8.2 59.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.549 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -87.8 -10.22 51.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.498 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.528 ' HG2' ' HG3' ' A' ' 9' ' ' GLN . 55.9 tt0 66.62 -73.54 0.07 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.278 -178.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.562 ' HB3' HG22 ' A' ' 25' ' ' THR . 28.0 mt-30 -148.14 104.6 3.56 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -177.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -79.93 156.51 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -106.44 131.77 53.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.323 0.582 . . . . 0.0 110.024 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 81' ' ' ALA . 75.8 m-85 -116.96 137.37 52.26 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.231 -175.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.3 m -91.65 111.05 23.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -97.38 118.64 44.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.082 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -107.81 102.41 11.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.149 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HG2' HD13 ' A' ' 77' ' ' LEU . 21.5 mt-10 -92.59 140.79 29.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.498 HG21 ' HA ' ' A' ' 75' ' ' LYS . 91.3 m -59.74 -40.91 89.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.91 177.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -69.69 -61.26 1.85 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.098 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -152.83 109.87 2.7 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.87 127.25 12.05 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.529 2.153 . . . . 0.0 111.368 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -87.89 -100.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.168 0.509 . . . . 0.0 111.557 -176.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -147.81 -162.94 1.65 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -91.27 133.5 35.35 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 170.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -131.97 157.27 44.49 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.157 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -82.25 170.69 15.11 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -174.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 m -53.3 -42.43 66.62 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -66.47 -47.77 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 110.969 -175.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.66 -36.42 84.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.3 tp -64.53 -43.03 95.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.09 176.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -54.49 -52.53 61.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.39 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -60.9 -37.6 82.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.571 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -63.31 -51.2 67.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 110.097 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.48 -38.49 87.48 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.525 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -60.11 -39.13 85.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.697 0.284 . . . . 0.0 111.004 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.506 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -77.42 -42.31 18.6 Favored Glycine 0 C--O 1.237 0.308 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.939 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.549 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -67.78 -21.03 65.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.777 0.322 . . . . 0.0 111.159 178.804 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.1 tp -85.92 -38.55 17.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.506 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 10.9 pt-20 -70.26 -27.25 64.29 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.341 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 65.5 pttt -74.71 -12.34 60.39 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.923 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.54 HD12 ' HG3' ' A' ' 39' ' ' LYS . 1.7 mp -94.57 137.96 21.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 m -62.18 146.03 51.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.151 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -62.54 -36.4 82.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.671 -174.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.4 m -77.92 -11.67 59.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.062 0.458 . . . . 0.0 110.661 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -96.25 -19.15 19.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.803 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.8 pp -86.14 156.78 57.27 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.463 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.493 ' HD2' HD12 ' A' ' 49' ' ' LEU . 88.6 Cg_exo -48.91 142.68 19.03 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.41 2.74 . . . . 0.0 113.716 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.415 ' HA ' HE21 ' A' ' 50' ' ' GLN . 55.4 tp -60.79 -31.03 70.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.18 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -56.75 -38.16 72.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.095 0.474 . . . . 0.0 110.669 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.669 ' HB2' HD13 ' A' ' 45' ' ' LEU . 44.8 mt -74.09 -26.99 60.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.311 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' A' ' 47' ' ' LEU . 50.6 mt-30 -73.87 -28.01 61.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.341 176.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -70.14 -35.38 74.02 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.823 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 53.9 mt -72.84 140.79 47.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.012 176.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.92 -35.24 14.84 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.198 -172.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -99.61 143.04 30.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.575 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.55 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 47.8 tp -61.28 -49.02 89.76 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.609 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.3 Cg_endo -56.08 -38.12 95.3 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.955 1.77 . . . . 0.0 112.042 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.94 88.29 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.495 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 73.5 mt-30 -63.21 -52.97 60.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.476 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -61.63 -40.44 94.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.492 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.82 -42.36 95.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.557 ' O ' HG22 ' A' ' 65' ' ' THR . 28.9 m80 -69.0 -32.23 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.609 HD21 HD11 ' A' ' 49' ' ' LEU . 55.2 mt -53.18 -52.4 58.94 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 173.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 56.9 mt -58.13 -39.81 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.497 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.76 -47.16 55.49 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -172.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 61' ' ' HIS . 9.6 t -100.24 -25.12 14.36 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -169.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.7 m -145.43 -179.16 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.004 -0.435 . . . . 0.0 111.524 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.6 m -149.94 98.82 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 168.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -175.4 156.14 1.95 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.485 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.826 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 40.4 tp -167.37 111.73 0.7 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 172.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -70.64 115.56 9.94 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.5 m -120.74 18.31 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.006 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.82 168.42 17.44 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.524 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.26 98.21 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.831 0.348 . . . . 0.0 110.572 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.36 -5.78 71.16 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.041 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HA ' HG21 ' A' ' 17' ' ' THR . 56.2 mtmt -106.08 127.02 52.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.849 0.357 . . . . 0.0 110.589 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -136.28 153.9 51.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.248 0.547 . . . . 0.0 110.623 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.826 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 44.3 tp -105.86 118.02 35.52 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.72 176.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.41 154.24 42.22 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.469 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 48.6 p90 -154.03 141.45 19.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.534 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -141.22 143.59 34.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.013 0.435 . . . . 0.0 110.609 173.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -86.9 142.61 27.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.873 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.29 104.08 16.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.414 0.626 . . . . 0.0 110.38 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -112.02 131.86 55.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.476 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.6 mp 60.95 91.41 0.06 Allowed 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.793 0.683 . . . . 0.0 111.549 178.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -131.21 -167.83 1.91 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.976 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -72.71 140.41 47.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.755 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.4 tp -75.35 127.72 33.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.478 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -82.91 77.04 9.71 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.6 m80 59.31 -172.99 0.11 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.18 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -84.46 67.96 10.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.402 0.62 . . . . 0.0 109.566 170.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -79.07 98.89 6.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.181 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -109.79 155.31 21.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.886 0.374 . . . . 0.0 111.075 -176.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -162.18 156.24 21.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.828 -176.354 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.17 -41.96 25.28 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.563 2.175 . . . . 0.0 111.246 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -97.47 131.9 26.32 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.626 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.08 -37.62 8.17 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.664 2.243 . . . . 0.0 113.313 -174.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.479 ' HG ' ' HA ' ' A' ' 8' ' ' GLN . 27.4 tp -87.79 55.3 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.49 0.662 . . . . 0.0 111.205 -174.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 24.5 ttt -72.26 -33.04 67.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.207 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -70.68 -26.12 63.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.623 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.479 ' HA ' ' HG ' ' A' ' 5' ' ' LEU . 24.7 tt0 69.97 -65.66 0.3 Allowed 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.875 0.734 . . . . 0.0 112.359 175.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.497 ' HG2' HD13 ' A' ' 27' ' ' ILE . 98.4 mt-30 -83.59 109.14 17.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.401 0.143 . . . . 0.0 111.179 -177.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.505 ' O ' ' HA ' ' A' ' 25' ' ' THR . 3.6 t70 -109.14 -168.89 1.39 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 174.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -107.18 116.83 32.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.999 0.428 . . . . 0.0 110.712 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 65.6 m-85 -118.77 130.64 55.9 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.0 t -98.72 121.94 49.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.552 HG23 HD21 ' A' ' 24' ' ' LEU . 92.6 t -99.39 117.53 44.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.309 0.576 . . . . 0.0 110.622 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -99.41 129.83 45.63 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.003 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.663 ' HB3' ' O ' ' A' ' 19' ' ' GLN . 0.5 OUTLIER -119.05 151.68 37.81 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 173.024 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 75' ' ' LYS . 99.6 m -55.39 -43.63 75.36 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -168.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -95.32 -28.31 15.04 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.461 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.663 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 2.3 pt20 -154.38 133.47 7.27 Favored Pre-proline 0 C--O 1.225 -0.221 0 CA-C-O 120.678 0.275 . . . . 0.0 110.926 175.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.12 150.76 29.76 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.234 1.956 . . . . 0.0 111.269 175.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -103.09 17.26 24.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.229 0.538 . . . . 0.0 110.384 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.435 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 81.0 mm-40 60.47 -155.2 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.877 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' H ' ' HB3' ' A' ' 22' ' ' GLN . 40.9 p90 -94.47 147.28 23.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.532 -174.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.552 HD21 HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -152.67 162.22 41.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.741 173.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 47.1 p -82.12 171.36 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.204 0.526 . . . . 0.0 112.188 -174.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 9' ' ' GLN . 4.9 m -51.61 -47.17 63.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.308 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.497 HD13 ' HG2' ' A' ' 9' ' ' GLN . 1.7 mp -66.58 -42.69 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.725 0.297 . . . . 0.0 110.767 -177.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.86 -43.23 96.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.8 tp -66.32 -36.72 83.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.808 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.7 -56.74 18.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.134 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.551 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 54.7 mm-40 -61.2 -35.4 77.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.008 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -64.94 -51.54 61.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.448 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.0 mt -62.12 -35.26 78.2 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.08 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 54.5 mtpt -57.96 -40.26 80.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.632 0.253 . . . . 0.0 110.866 176.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.25 -53.15 19.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.951 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.862 ' HB3' HD21 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -57.64 -36.45 71.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.314 178.751 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.58 -43.95 62.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.636 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -75.72 -15.55 60.27 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.729 -175.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -89.01 -5.71 57.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.118 0.485 . . . . 0.0 109.815 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.526 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -95.53 144.13 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.085 172.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 m -59.5 130.95 49.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.97 0.414 . . . . 0.0 110.99 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.484 ' HA ' ' CD2' ' A' ' 45' ' ' LEU . 91.2 m-85 -70.71 -10.77 60.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.086 -175.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.4 p -83.15 -22.55 33.27 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.212 0.529 . . . . 0.0 110.87 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.84 -19.61 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.468 -171.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.87 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.1 pp -72.67 156.26 90.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.709 176.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -53.61 151.68 24.0 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.231 2.621 . . . . 0.0 113.701 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.21 -28.03 68.85 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.879 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -49.84 -45.89 50.78 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.865 0.841 . . . . 0.0 110.566 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.87 ' HB2' HD13 ' A' ' 45' ' ' LEU . 22.0 mt -79.56 -21.01 45.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.714 -174.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.44 -22.33 54.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.241 0.544 . . . . 0.0 110.129 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -82.69 -34.71 27.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.943 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.7 mt -78.06 119.75 21.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.795 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.57 -30.04 62.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.72 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -98.44 132.57 43.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.703 0.287 . . . . 0.0 111.054 -175.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.523 ' HB3' ' HD3' ' A' ' 56' ' ' PRO . 34.6 tp -58.29 -44.81 99.56 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.358 177.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 53.6 Cg_exo -53.38 -44.19 51.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 122.068 1.845 . . . . 0.0 112.224 174.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.68 93.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.699 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -57.58 -55.86 29.4 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.672 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.01 -35.68 79.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.064 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -61.86 -41.4 97.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.613 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.541 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 61.0 t60 -70.24 -22.58 62.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.725 0.298 . . . . 0.0 110.63 -178.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 59' ' ' ALA . 96.0 mt -65.71 -53.1 45.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 171.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.82 -28.94 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.489 0.661 . . . . 0.0 109.834 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 33.2 t70 -64.72 -58.03 7.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.211 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 t -166.72 21.82 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.4 m -136.5 124.46 22.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.412 -0.805 . . . . 0.0 110.819 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.3 t -132.51 104.01 6.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.01 0.433 . . . . 0.0 111.581 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -172.18 121.83 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.984 169.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.862 HD21 ' HB3' ' A' ' 36' ' ' GLU . 32.5 tp -150.34 111.38 4.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.05 0.452 . . . . 0.0 110.74 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -93.32 107.11 18.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.381 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.558 HG23 ' HG3' ' A' ' 75' ' ' LYS . 24.2 m -98.76 17.95 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.544 -176.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 74.95 172.07 29.39 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.169 -0.538 . . . . 0.0 113.611 173.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 66.85 21.3 10.46 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.34 0.656 . . . . 0.0 112.162 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.23 0.91 87.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.945 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.558 ' HG3' HG23 ' A' ' 71' ' ' VAL . 24.9 pttm -104.42 147.72 27.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.925 0.393 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -124.08 149.0 46.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.68 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.538 HD22 ' HG2' ' A' ' 36' ' ' GLU . 13.1 tp -101.39 115.45 30.53 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -121.19 132.23 54.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.959 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.439 ' CZ2' ' HB3' ' A' ' 62' ' ' LEU . 44.1 p90 -126.37 144.16 50.92 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.892 0.377 . . . . 0.0 110.18 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.61 155.05 46.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.19 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -89.68 131.64 35.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.219 -175.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.26 102.47 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.532 0.682 . . . . 0.0 110.675 174.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -126.73 123.83 38.36 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.341 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.727 ' H ' HD23 ' A' ' 84' ' ' LEU . 2.5 pt? -111.76 144.99 40.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.835 -175.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -113.33 -3.06 13.86 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.853 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -95.78 90.1 5.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.62 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.468 ' H ' HD23 ' A' ' 87' ' ' LEU . 2.7 pt? -67.13 156.62 35.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.022 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.802 ' HG3' ' HB2' ' A' ' 91' ' ' HIS . 42.8 tt0 -92.1 92.12 8.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.275 0.56 . . . . 0.0 110.893 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -109.87 -38.95 5.22 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 173.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -138.6 98.34 3.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.843 172.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.802 ' HB2' ' HG3' ' A' ' 88' ' ' GLU . 5.3 t-160 -119.1 105.81 11.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.582 -174.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -75.87 -26.9 57.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.38 -173.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -137.86 164.55 28.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.8 m80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.864 178.274 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 42.7 mtt . . . . . 0 N--CA 1.485 1.288 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.515 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 52.8 Cg_exo -54.95 -70.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.362 1.271 0 C-N-CA 122.15 1.9 . . . . 0.0 112.516 -176.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.675 ' HB2' ' HA ' ' A' ' 6' ' ' MET . 35.6 m-20 -95.87 145.62 29.88 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 173.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -50.32 -64.63 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.983 2.456 . . . . 0.0 112.722 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.454 ' HG ' ' H ' ' A' ' 7' ' ' TYR . 2.3 pt? -82.87 -9.11 59.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.993 0.425 . . . . 0.0 110.103 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.675 ' HA ' ' HB2' ' A' ' 3' ' ' ASP . 23.6 ttt 66.95 13.71 9.56 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.924 174.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.454 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 28.8 m-85 -118.16 -86.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -159.05 -170.05 2.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.858 0.361 . . . . 0.0 111.141 -173.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -64.89 111.73 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 168.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -90.03 -158.04 0.5 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.578 HD22 ' H ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -127.41 139.52 52.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.668 0.746 . . . . 0.0 111.436 -174.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -121.05 137.98 54.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.551 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 23' ' ' PHE . 24.9 t -94.45 119.33 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.454 ' CG2' HD21 ' A' ' 24' ' ' LEU . 92.2 t -105.27 124.75 60.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.198 0.523 . . . . 0.0 111.298 -177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.5 mt -109.99 114.16 27.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.498 176.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.2 171.33 8.07 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.4 m -79.26 -43.84 22.93 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.078 0.466 . . . . 0.0 110.824 -177.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -66.52 -45.72 78.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.605 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -154.72 140.37 12.48 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.714 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -79.53 126.88 6.98 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 121.809 1.673 . . . . 0.0 109.675 165.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HG3' ' H ' ' A' ' 22' ' ' GLN . 5.1 pt-20 -109.35 -98.13 0.39 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -171.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.582 ' HG2' ' N ' ' A' ' 23' ' ' PHE . 14.9 tt0 -154.22 172.93 16.82 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.757 -170.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.582 ' N ' ' HG2' ' A' ' 22' ' ' GLN . 50.9 p90 -77.55 148.43 35.23 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 172.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD12 ' CB ' ' A' ' 28' ' ' GLU . 1.1 pt? -146.09 169.49 18.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.437 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -83.07 162.6 21.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.063 -175.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.469 HG23 HG21 ' A' ' 63' ' ' ILE . 8.8 m -48.52 -47.05 39.31 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.004 0.522 . . . . 0.0 112.099 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.491 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 51.3 mm -60.96 -41.65 89.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.365 0.602 . . . . 0.0 110.846 -178.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.464 ' CB ' HD12 ' A' ' 24' ' ' LEU . 36.3 mt-10 -67.93 -37.09 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.515 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.07 -35.33 79.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.337 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 19.5 mt -52.49 -54.56 30.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.711 173.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -58.38 -37.9 76.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.953 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.78 -57.89 10.11 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.846 0.355 . . . . 0.0 110.562 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.25 -42.63 98.95 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.783 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -54.48 -49.39 70.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.05 -49.34 54.51 Favored Glycine 0 C--O 1.239 0.426 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.429 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 47.5 mm-40 -60.18 -44.11 95.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.505 0.193 . . . . 0.0 110.524 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.55 -43.45 93.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.879 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HB3' HD21 ' A' ' 55' ' ' LEU . 10.6 pt-20 -69.67 -20.17 63.58 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.552 -175.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' NZ ' ' HA ' ' A' ' 36' ' ' GLU . 29.9 mtmm -65.89 -32.33 73.77 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.27 172.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -75.34 140.01 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -58.13 133.59 55.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.906 0.384 . . . . 0.0 110.703 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -67.11 -12.37 59.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.899 -176.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 m -96.09 -3.76 44.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.925 0.393 . . . . 0.0 111.017 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.05 -41.82 6.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.072 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.59 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.8 pp -58.49 158.2 15.79 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.293 -178.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.544 ' HD2' HD12 ' A' ' 49' ' ' LEU . 77.0 Cg_exo -43.01 139.29 3.64 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.402 2.734 . . . . 0.0 113.526 -175.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.485 ' HG ' ' HE3' ' A' ' 51' ' ' LYS . 58.0 tp -58.26 -31.59 67.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.459 -177.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -60.99 -39.65 90.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.179 0.514 . . . . 0.0 110.323 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.59 ' HB2' HD13 ' A' ' 45' ' ' LEU . 39.1 mt -72.1 -31.89 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.939 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.423 HE21 ' HA ' ' A' ' 47' ' ' LEU . 49.6 mt-30 -64.96 -27.69 69.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.729 176.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.485 ' HE3' ' HG ' ' A' ' 47' ' ' LEU . 91.2 mttt -76.65 -34.17 58.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.92 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -74.68 109.29 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.643 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -65.62 -28.69 69.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.311 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -96.02 129.64 43.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.102 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.583 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 43.1 tp -62.94 -45.94 87.19 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.674 177.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.9 Cg_endo -55.89 -31.46 81.42 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 122.28 1.986 . . . . 0.0 112.259 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.55 -40.6 73.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.539 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -60.3 -52.03 67.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.288 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.34 86.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.26 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -63.36 -39.27 94.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.781 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -55.66 -42.43 75.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.56 -52.23 66.08 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.486 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.469 HG21 HG23 ' A' ' 26' ' ' THR . 85.2 mt -55.63 -45.62 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.37 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.44 -37.28 85.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.99 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 66' ' ' SER . 21.7 p -108.6 -79.93 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.527 ' HB2' ' O ' ' A' ' 65' ' ' THR . 24.9 t 156.63 160.23 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.495 1.118 . . . . 0.0 108.223 -174.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 19.9 t -176.04 158.76 2.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.856 0.36 . . . . 0.0 110.24 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -106.87 120.18 41.33 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 172.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 tp -129.07 122.87 30.86 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -171.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.48 113.85 20.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 166.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.633 HG23 ' HB2' ' A' ' 75' ' ' LYS . 7.6 m -90.62 16.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -171.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.95 156.45 32.69 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.349 172.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 67.66 15.51 9.72 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.062 0.545 . . . . 0.0 111.523 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.24 0.31 77.19 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.043 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.633 ' HB2' HG23 ' A' ' 71' ' ' VAL . 41.0 mtmt -79.37 146.62 32.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.277 0.561 . . . . 0.0 110.275 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -124.3 120.08 31.16 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD22 HG11 ' A' ' 71' ' ' VAL . 43.5 tp -105.49 130.03 53.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.887 0.375 . . . . 0.0 111.336 -174.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -129.83 131.08 46.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.823 175.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -132.66 140.37 48.13 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -134.36 139.46 45.65 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.7 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.61 118.24 26.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.399 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.2 m -83.78 103.04 10.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.646 0.736 . . . . 0.0 109.928 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 83' ' ' ARG . 12.8 ptt180 -131.41 120.63 23.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.235 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.5 tp 178.51 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.036 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -76.3 84.62 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.763 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -87.88 1.43 54.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.576 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -96.13 101.08 12.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.649 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -67.96 107.92 2.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.621 -177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -83.66 155.51 23.13 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -57.89 138.22 55.97 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.25 0.344 . . . . 0.0 110.7 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -99.51 -91.48 0.29 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.974 -175.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 67.0 t60 47.59 88.33 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.83 0.706 . . . . 0.0 111.598 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -77.26 94.18 4.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.605 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.374 -0.822 . . . . 0.0 112.265 174.844 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.689 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 15.5 tpt . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 119.535 -0.269 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 35.0 Cg_exo -61.04 -39.83 56.89 Favored 'Trans proline' 0 C--N 1.362 1.242 0 C-N-CA 121.457 1.438 . . . . 0.0 110.107 171.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.2 130.48 80.19 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.573 171.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -67.46 -38.41 14.81 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.388 2.059 . . . . 0.0 112.055 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.8 ' HB2' ' HG3' ' A' ' 8' ' ' GLN . 9.2 mp -102.69 119.63 39.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.845 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.2 mtt -83.16 -27.98 29.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.318 0.58 . . . . 0.0 109.477 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -86.6 -56.74 3.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.126 172.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.8 ' HG3' ' HB2' ' A' ' 5' ' ' LEU . 1.5 tt0 67.8 176.05 0.26 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.246 173.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -145.33 99.67 3.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.935 0.397 . . . . 0.0 110.86 176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 25' ' ' THR . 13.1 t70 -116.87 -169.07 1.57 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 171.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.39 116.13 31.39 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.68 0.752 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 20.3 m-85 -103.27 140.25 37.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.924 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.8 p -87.13 112.08 22.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.699 0.762 . . . . 0.0 110.711 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG21 HD13 ' A' ' 29' ' ' LEU . 90.9 t -103.71 129.89 55.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.886 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.574 ' HB2' ' HB2' ' A' ' 78' ' ' GLN . 53.7 mt -92.3 102.11 14.6 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.592 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' A' ' 19' ' ' GLN . 1.7 tm-20 -107.01 161.27 14.88 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -86.07 -41.45 14.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.807 0.337 . . . . 0.0 111.532 -172.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.411 ' HB2' ' OE1' ' A' ' 16' ' ' GLU . 44.3 m-80 -72.67 -60.64 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.048 0.451 . . . . 0.0 109.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 3.2 pp0? -114.74 114.26 44.47 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-O 121.511 0.672 . . . . 0.0 109.548 177.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -85.79 158.45 10.41 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.576 2.184 . . . . 0.0 113.775 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 51.52 63.57 2.19 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.495 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.571 ' HG2' HD22 ' A' ' 24' ' ' LEU . 61.3 tt0 -93.85 111.55 23.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.644 177.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.515 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 22.7 p90 -101.09 116.07 31.97 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.405 0.621 . . . . 0.0 110.226 176.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD22 ' HG2' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -134.83 172.78 12.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.069 -176.08 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 31.6 p -89.83 168.98 11.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.036 0.445 . . . . 0.0 111.5 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -51.22 -52.67 42.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.267 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.04 -37.42 67.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.132 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.18 -50.69 63.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.712 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.498 HD13 HG21 ' A' ' 14' ' ' VAL . 36.4 tp -60.8 -33.44 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.659 -178.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 60' ' ' GLN . 5.1 mt -56.97 -62.7 1.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.097 175.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 52.2 mm-40 -60.95 -33.56 73.37 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.17 -176.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -57.12 14.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.732 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.01 -37.06 86.06 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.545 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 56.6 mtpt -56.54 -38.25 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.602 0.239 . . . . 0.0 111.039 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.637 ' O ' ' HG3' ' A' ' 39' ' ' LYS . . . -70.76 -53.81 11.07 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.036 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.482 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -61.32 -32.3 72.17 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.454 -0.439 . . . . 0.0 111.051 179.829 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.0 tp -66.47 -40.11 89.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.34 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.619 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 3.2 pp20? -76.57 -13.68 60.06 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.804 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.637 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 45.1 mttm -81.88 -27.24 33.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.033 0.444 . . . . 0.0 110.575 173.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.6 mp -80.38 142.05 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.078 177.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.5 m -60.32 140.47 57.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.059 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -70.13 -21.78 63.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.931 0.396 . . . . 0.0 111.119 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -92.03 0.53 57.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -107.63 -34.16 7.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.765 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -67.04 153.63 94.15 Favored Pre-proline 0 C--O 1.238 0.452 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.631 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.475 ' HB2' ' HG ' ' A' ' 49' ' ' LEU . 79.9 Cg_exo -46.48 142.51 9.46 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.503 2.802 . . . . 0.0 113.701 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.06 -37.42 74.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.395 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 3.9 tp10 -57.65 -33.07 67.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.616 0.722 . . . . 0.0 110.431 -176.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.543 ' HB2' HD13 ' A' ' 45' ' ' LEU . 36.0 mt -72.42 -26.3 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.155 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -73.61 -25.37 60.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.869 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 5.2 mptp? -70.05 -36.02 74.69 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.381 0.61 . . . . 0.0 110.209 171.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.543 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 68.3 mt -78.48 112.52 15.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.539 -178.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.13 -34.65 78.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.898 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 t -92.17 123.96 35.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 49.2 tp -54.8 -49.82 89.48 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.771 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.2 Cg_endo -56.79 -39.62 90.08 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 121.83 1.687 . . . . 0.0 112.637 175.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.88 78.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.761 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.543 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 78.2 mt-30 -61.38 -51.14 70.03 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.275 176.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.558 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -61.54 -39.47 91.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.921 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.419 ' HB2' HD21 ' A' ' 30' ' ' LEU . 23.8 tp60 -62.64 -40.18 96.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.584 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -65.68 -34.79 79.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.571 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.78 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 92.4 mt -58.61 -49.0 79.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.076 0.465 . . . . 0.0 110.128 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.643 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 38.5 mt -63.54 -37.95 80.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.677 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -68.14 -61.91 1.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.478 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 p -150.39 70.42 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.78 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 49.0 m -147.91 -174.9 4.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.318 -0.239 . . . . 0.0 110.481 171.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 57.9 m -107.02 -166.13 1.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.421 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 77' ' ' LEU . 3.0 mp0 -94.35 176.37 6.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -141.81 153.56 44.6 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.926 0.394 . . . . 0.0 111.748 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -85.05 126.45 33.58 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.447 HG23 ' HG3' ' A' ' 75' ' ' LYS . 32.8 m -105.27 14.17 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.857 -172.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 94.17 149.45 25.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.991 176.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 72.01 18.63 4.88 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.33 0.652 . . . . 0.0 112.126 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.25 -8.67 69.89 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.709 -0.758 . . . . 0.0 113.227 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 25.7 pttm -89.62 143.33 26.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -113.56 170.98 7.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.493 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 36.6 tp -135.02 111.67 9.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.623 176.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.574 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 1.6 mp0 -113.55 143.03 45.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.057 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.643 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 38.2 p90 -147.06 137.92 23.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 176.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -142.12 137.87 31.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.119 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.07 113.45 18.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.799 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.4 m -99.83 105.14 17.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.042 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -118.05 120.01 36.5 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 173.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.2 tp -151.06 47.27 0.84 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.765 ' HB3' ' HB2' ' A' ' 89' ' ' HIS . 43.7 mt-10 -79.02 85.84 4.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.107 -175.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -102.6 -40.74 6.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.142 0.496 . . . . 0.0 109.7 175.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.8 tp -117.57 -36.83 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.369 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -82.74 15.25 2.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.64 -176.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.765 ' HB2' ' HB3' ' A' ' 85' ' ' GLU . 36.9 t60 -82.05 -18.19 44.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -58.84 119.16 6.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.598 176.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 51.54 23.26 1.8 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.083 0.953 . . . . 0.0 112.194 -175.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 63.54 179.31 0.16 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.36 0.6 . . . . 0.0 112.052 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -69.59 101.52 1.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.015 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.728 177.873 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.51 -30.14 43.81 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.381 2.054 . . . . 0.0 110.73 172.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.424 ' HB3' ' HD2' ' A' ' 4' ' ' PRO . 8.0 m-20 -80.6 162.38 60.82 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.811 173.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 3' ' ' ASP . 29.0 Cg_endo -63.67 161.37 32.37 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 121.692 1.595 . . . . 0.0 111.549 175.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.918 ' H ' HD23 ' A' ' 5' ' ' LEU . 1.5 pt? -75.59 14.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.088 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 54.1 ttp 76.02 -44.44 0.5 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.664 0.786 . . . . 0.0 112.219 172.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 71.1 m-85 -85.25 -10.18 56.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.756 0.312 . . . . 0.0 110.431 176.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 2.0 mp0 70.26 170.23 0.31 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.836 -174.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.533 ' HG2' HG12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -61.69 148.11 43.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.214 -175.373 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.404 ' HB2' ' NH2' ' A' ' 83' ' ' ARG . 6.3 p-10 -70.88 154.26 41.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.223 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.578 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 4.1 p-10 -107.07 147.02 30.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.219 0.533 . . . . 0.0 111.239 -176.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.431 ' HD1' ' HA ' ' A' ' 81' ' ' ALA . 96.6 m-85 -115.4 144.3 44.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.575 177.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.546 ' HB ' ' HD2' ' A' ' 80' ' ' TYR . 59.3 t -86.07 106.91 15.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.516 HG21 HD13 ' A' ' 29' ' ' LEU . 22.4 t -112.05 103.8 16.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.517 -175.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.4 mt -95.38 101.74 13.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.026 0.441 . . . . 0.0 110.152 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' HB3' ' HA ' ' A' ' 20' ' ' PRO . 35.9 tt0 -83.59 153.91 24.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.913 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -75.58 -53.3 8.83 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.19 -78.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.797 -173.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -125.38 100.72 31.9 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 177.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HA ' ' HB3' ' A' ' 16' ' ' GLU . 5.6 Cg_exo -73.23 127.89 12.41 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.602 2.201 . . . . 0.0 112.142 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -88.83 170.83 10.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.49 149.48 49.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.466 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . 3.5 p90 -51.9 137.69 25.96 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.511 0.507 . . . . 0.0 110.549 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 28' ' ' GLU . 1.3 pt? -136.47 164.68 27.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.582 -165.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 11' ' ' ASN . 43.9 p -77.36 169.55 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.919 -174.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 m -49.59 -46.69 49.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.919 178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.533 HG12 ' HG2' ' A' ' 9' ' ' GLN . 44.7 mm -67.09 -43.44 88.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -177.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.517 ' HB3' HD12 ' A' ' 24' ' ' LEU . 20.7 mm-40 -63.21 -41.53 99.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.163 0.506 . . . . 0.0 110.104 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 14' ' ' VAL . 64.8 tp -60.97 -41.71 96.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.268 177.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.0 mt -53.84 -52.08 61.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.891 175.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.478 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 7.3 mm-40 -58.09 -40.13 80.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.447 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 23.1 ttmm -69.03 -52.54 27.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.648 176.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.1 mt -55.8 -46.34 78.05 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.721 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 43.6 mtmt -57.95 -41.35 82.67 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.282 0.364 . . . . 0.0 111.006 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.519 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -69.05 -46.82 57.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.433 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 6.6 mm-40 -69.22 -19.07 63.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.188 0.518 . . . . 0.0 110.36 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.4 tp -84.62 -42.73 15.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.228 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -70.67 -20.84 62.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.397 -176.701 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 17.7 ptpt -77.58 -8.16 57.42 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.92 0.391 . . . . 0.0 110.455 175.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.0 mt -94.93 142.84 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -67.06 135.58 53.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.056 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.425 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 84.6 m-85 -67.7 -10.64 54.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.335 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.5 p -83.33 -14.35 53.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.92 0.391 . . . . 0.0 110.924 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -110.54 -37.82 5.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.654 -171.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.713 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.6 pp -63.0 153.44 80.81 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.064 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' HD12 ' A' ' 49' ' ' LEU . 98.5 Cg_exo -45.03 145.14 3.28 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.674 2.916 . . . . 0.0 113.909 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.524 ' O ' ' HG3' ' A' ' 51' ' ' LYS . 41.6 tp -60.25 -30.54 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.219 -177.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.03 -43.01 63.53 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.506 0.67 . . . . 0.0 110.671 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.713 ' HB2' HD13 ' A' ' 45' ' ' LEU . 27.4 mt -78.73 -17.1 56.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.907 -176.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -81.91 -18.93 41.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.87 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 47' ' ' LEU . 91.3 mttt -83.26 -34.43 25.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.911 177.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 58' ' ' GLN . 62.2 mt -85.23 134.63 34.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.282 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.78 -30.86 16.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.861 0.363 . . . . 0.0 111.283 -177.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -92.04 138.25 31.69 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.745 0.307 . . . . 0.0 110.828 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.559 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 12.7 tp -62.66 -48.07 86.75 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.659 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.8 Cg_endo -55.29 -38.09 94.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 122.247 1.965 . . . . 0.0 112.229 176.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -45.78 84.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.608 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.459 ' HB3' HD22 ' A' ' 49' ' ' LEU . 79.5 mt-30 -59.4 -51.22 70.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.761 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 62' ' ' LEU . . . -61.87 -40.53 95.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.657 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.57 -36.57 82.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.684 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.508 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 46.8 t60 -64.89 -27.56 68.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.226 0.536 . . . . 0.0 109.922 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 95.3 mt -64.64 -51.79 60.75 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.04 -36.23 66.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.676 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.508 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 3.5 p30 -86.81 -34.68 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -174.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 p -129.03 -36.86 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.6 m -128.83 124.59 35.76 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 119.772 -0.771 . . . . 0.0 112.725 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 64.4 m -117.09 101.59 8.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.21 0.528 . . . . 0.0 110.443 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -173.01 118.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.4 tp -157.59 111.74 2.61 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.105 -177.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.56 117.76 32.54 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 170.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.504 HG12 ' HB3' ' A' ' 36' ' ' GLU . 29.6 m -86.09 4.49 3.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.698 -171.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.55 111.46 1.2 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.337 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 56.93 70.72 0.63 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.84 19.02 74.79 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.949 -0.569 . . . . 0.0 113.585 171.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -114.63 120.54 40.5 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -107.55 151.05 26.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.286 0.565 . . . . 0.0 111.835 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.1 tp -119.41 112.1 18.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.694 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -125.2 132.94 52.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 34.7 p90 -118.82 122.17 41.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.196 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.546 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 2.0 m-85 -97.57 122.26 40.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.431 ' HA ' ' HD1' ' A' ' 12' ' ' PHE . . . -74.94 111.67 10.38 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m -122.16 126.61 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.677 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.473 ' HA ' ' HE ' ' A' ' 83' ' ' ARG . 1.3 mmp_? -105.67 120.64 42.2 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.8 tp -122.73 101.08 7.25 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.988 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -163.7 155.04 16.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.353 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.538 ' HG2' HD12 ' A' ' 87' ' ' LEU . 64.0 tttp -158.22 -66.69 0.09 Allowed 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.538 HD12 ' HG2' ' A' ' 86' ' ' LYS . 8.9 mp -117.37 136.95 52.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.73 176.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.59 79.29 1.9 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 169.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -142.42 27.39 1.72 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.042 -174.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -145.14 35.42 1.1 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.714 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -73.6 112.87 10.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.723 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -101.2 37.53 1.75 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.015 176.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 66.9 105.89 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.521 -175.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.5 p80 . . . . . 0 C--O 1.245 0.817 0 CA-C-O 118.104 -0.95 . . . . 0.0 110.319 178.557 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.97 98.88 0.73 Allowed 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.351 2.034 . . . . 0.0 110.37 170.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 35.0 t70 -110.08 119.69 46.56 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.565 -174.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 3' ' ' ASP . 74.7 Cg_exo -55.76 146.2 67.68 Favored 'Trans proline' 0 CA--C 1.519 -0.241 0 C-N-CA 123.263 2.642 . . . . 0.0 113.26 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.829 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.3 pt? -88.72 143.49 26.88 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.157 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -15.53 60.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.052 -178.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -72.38 -59.07 2.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.644 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.494 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 26.4 tt0 -84.36 90.87 7.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.278 0.561 . . . . 0.0 110.695 -176.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.496 ' OE1' ' HB ' ' A' ' 25' ' ' THR . 43.0 mt-30 -138.76 155.92 47.79 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.152 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -104.2 162.47 13.16 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -106.52 115.79 30.82 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.521 0.677 . . . . 0.0 109.51 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' PHE . 86.0 m-85 -110.7 131.08 55.36 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.258 -176.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 2.6 p -86.24 107.06 16.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.781 0.8 . . . . 0.0 109.723 177.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.0 t -93.51 123.99 45.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.078 -175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 mt -91.73 102.16 14.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.087 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.06 161.95 18.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.487 -176.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 m -92.4 -31.74 15.2 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.189 0.519 . . . . 0.0 110.133 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -95.72 -11.78 26.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.651 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 24.7 mm-40 -130.01 133.45 25.0 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.488 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 19' ' ' GLN . 35.9 Cg_exo -61.45 152.41 73.18 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.364 2.043 . . . . 0.0 111.43 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.58 109.81 1.3 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.43 0.633 . . . . 0.0 110.986 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' A' ' 13' ' ' VAL . 41.1 mt-30 -136.06 153.72 51.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.307 -177.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 14.5 p90 -94.56 111.67 23.43 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 28' ' ' GLU . 1.9 pp -121.63 175.15 6.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.11 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.496 ' HB ' ' OE1' ' A' ' 9' ' ' GLN . 50.1 p -80.57 162.56 24.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.776 -174.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 m -55.91 -39.72 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.635 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.4 HG12 ' OE1' ' A' ' 9' ' ' GLN . 33.4 mm -60.28 -45.13 96.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.819 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.488 ' HB2' HD13 ' A' ' 24' ' ' LEU . 38.7 mt-10 -62.35 -39.84 94.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.07 -42.71 80.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.385 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 30' ' ' LEU . 7.5 mt -58.0 -55.36 35.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.391 178.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.67 -39.46 77.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.374 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -63.4 -53.8 46.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.0 mt -57.37 -44.82 84.72 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.011 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -57.81 -54.7 43.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.771 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -65.34 -46.88 84.59 Favored Glycine 0 C--O 1.24 0.506 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.133 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.04 73.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.635 -0.283 . . . . 0.0 111.494 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.3 tp -79.82 -37.36 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.349 0.406 . . . . 0.0 111.786 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 1.8 pp20? -68.68 -25.65 64.9 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.186 -175.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -82.09 -5.18 58.21 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.235 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mp -85.49 140.23 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 170.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 m -60.56 138.96 57.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.018 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -63.68 -34.8 78.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.7 p -86.54 10.82 14.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.996 0.427 . . . . 0.0 111.077 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -113.24 -36.27 5.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.649 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.646 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.2 pp -73.03 158.54 86.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.014 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD2' HD12 ' A' ' 49' ' ' LEU . 86.4 Cg_exo -47.42 144.39 10.05 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.482 2.788 . . . . 0.0 113.631 -177.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.55 -28.22 69.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.146 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 48' ' ' GLU . 21.8 mp0 -61.33 -41.05 96.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.312 0.577 . . . . 0.0 109.599 177.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.646 ' HB2' HD13 ' A' ' 45' ' ' LEU . 48.7 mt -74.59 -27.58 60.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.902 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -68.0 -22.76 64.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.525 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -85.46 -29.11 24.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.076 0.465 . . . . 0.0 110.349 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.94 106.91 13.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.771 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.32 -24.51 63.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.421 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -93.74 124.53 37.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.532 ' HB3' ' HD3' ' A' ' 56' ' ' PRO . 59.4 tp -57.94 -46.25 99.72 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.226 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 51.6 Cg_exo -56.52 -38.17 95.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 121.844 1.696 . . . . 0.0 112.13 174.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.76 82.0 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.731 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.542 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 51.5 mt-30 -55.34 -52.16 64.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.488 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.62 95.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.398 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -63.6 -42.45 98.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.105 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -64.53 -30.68 71.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.994 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.856 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.7 mt -60.77 -50.19 74.44 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.606 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 73.6 mt -59.16 -45.76 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.695 177.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -64.9 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.128 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.18 70.17 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.042 0.449 . . . . 0.0 111.965 -176.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.856 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 57.5 m -146.05 -169.78 3.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.768 0.318 . . . . 0.0 110.412 170.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.502 ' HB3' ' OE1' ' A' ' 68' ' ' GLU . 60.5 m -103.2 -149.26 0.4 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.321 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.502 ' OE1' ' HB3' ' A' ' 67' ' ' CYS . 2.2 pm0 -94.64 165.18 12.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.858 0.361 . . . . 0.0 110.22 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -131.11 123.33 28.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.207 -174.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -83.91 132.95 34.74 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 168.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 75' ' ' LYS . 27.5 m -112.33 26.64 3.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -168.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.18 176.53 51.53 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.229 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 59.03 15.88 4.31 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.921 0.488 . . . . 0.0 112.078 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.27 7.25 77.33 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 121.422 -0.418 . . . . 0.0 113.343 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' HG3' HG23 ' A' ' 71' ' ' VAL . 19.8 ptmt -100.35 140.81 34.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.194 0.497 . . . . 0.0 110.54 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -111.26 142.69 43.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.015 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.4 tp -114.35 112.2 22.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.502 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -122.58 131.87 54.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.327 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.606 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 30.8 p90 -136.61 137.64 40.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.846 0.355 . . . . 0.0 110.187 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -141.59 145.96 35.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.335 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.48 136.46 36.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.408 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.9 m -83.4 133.04 29.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -128.77 142.35 51.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.217 -173.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.26 -41.59 99.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.013 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -118.95 133.7 55.66 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.778 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -106.61 94.83 5.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.273 0.558 . . . . 0.0 110.791 -176.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.886 ' H ' HD23 ' A' ' 87' ' ' LEU . 1.7 pt? -88.15 -5.21 58.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.318 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -61.4 -24.68 66.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.231 176.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -75.89 75.09 2.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.072 0.463 . . . . 0.0 110.527 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -132.13 10.86 4.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.438 174.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -112.83 162.63 15.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.451 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -90.47 134.8 34.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.729 0.3 . . . . 0.0 110.827 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -126.16 107.56 10.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.915 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 80.0 m80 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.847 179.749 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tmm? . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -84.78 -77.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 122.877 2.384 . . . . 0.0 112.671 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -93.95 160.7 31.85 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.391 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.73 167.58 8.25 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.404 2.069 . . . . 0.0 111.331 174.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.49 HD11 ' HG3' ' A' ' 9' ' ' GLN . 2.3 pt? -52.12 131.65 32.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.277 -176.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 59.2 mtt -67.02 -40.23 87.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.314 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -88.06 81.13 7.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.01 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -53.8 135.04 42.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.735 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.649 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 27.4 mt-30 -80.43 102.74 9.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.373 176.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' THR . 15.3 m-20 -67.73 166.1 15.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.493 -177.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -106.55 125.7 51.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.407 0.622 . . . . 0.0 109.973 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -124.14 139.81 53.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.65 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 80' ' ' TYR . 28.0 m -94.01 129.31 44.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 176.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.7 t -102.87 117.5 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.484 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.699 ' HA ' ' HB3' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -119.36 101.92 8.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.698 0.761 . . . . 0.0 109.705 179.594 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 75' ' ' LYS . 46.7 mt-10 -93.3 159.26 15.35 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.579 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.481 ' HB ' ' HA ' ' A' ' 75' ' ' LYS . 70.3 m -54.94 -43.96 73.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.617 176.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -79.43 -74.32 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.948 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -128.47 106.32 19.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.699 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 3.0 Cg_exo -76.38 127.4 9.73 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.923 2.416 . . . . 0.0 111.162 172.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -101.0 -169.69 1.74 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.737 0.303 . . . . 0.0 110.684 -178.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -81.32 -163.32 0.6 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.058 0.456 . . . . 0.0 110.979 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -86.51 145.97 26.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.383 -177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -143.28 172.97 12.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.542 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.649 ' HB ' ' HB3' ' A' ' 9' ' ' GLN . 81.1 p -85.84 170.47 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -172.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 m -52.43 -45.81 66.14 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.032 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.445 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 46.9 mm -61.94 -47.18 94.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.625 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 9.5 mm-40 -55.86 -46.02 78.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.016 176.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.8 tp -65.09 -44.57 88.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.8 mt -52.59 -51.86 57.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.755 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 19.8 mm-40 -65.14 -38.18 89.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.151 -174.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 3.7 ptpp? -79.76 -33.18 40.88 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.251 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.99 -45.91 92.91 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.574 ' HG2' ' HG ' ' A' ' 55' ' ' LEU . 9.1 mtpp -57.3 -46.03 83.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.255 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.99 -48.64 78.83 Favored Glycine 0 C--O 1.237 0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.516 ' HB3' ' CG1' ' A' ' 71' ' ' VAL . 7.4 mm-40 -73.82 -18.71 60.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.704 0.287 . . . . 0.0 111.284 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.4 tp -82.93 -37.29 24.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.707 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -78.46 -16.69 57.29 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.099 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -81.93 -7.08 59.58 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.279 0.561 . . . . 0.0 109.602 172.129 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.5 mt -94.07 138.4 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.814 175.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.434 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 16.1 m -69.6 150.19 47.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.815 0.341 . . . . 0.0 110.535 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.496 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 85.4 m-85 -68.95 -14.79 63.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.2 t -85.48 -12.91 50.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.512 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' A' ' 41' ' ' SER . 29.5 m-20 -95.29 -39.13 10.21 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.895 0.378 . . . . 0.0 110.564 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.699 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.6 pp -72.68 146.37 88.22 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.41 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.488 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 22.2 Cg_endo -61.64 158.81 35.26 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.872 2.381 . . . . 0.0 113.519 -176.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.419 HD12 ' OE1' ' A' ' 50' ' ' GLN . 43.1 tp -52.42 -34.12 47.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.761 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -51.17 -47.76 62.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.699 ' HB2' HD13 ' A' ' 45' ' ' LEU . 24.1 mt -78.69 -15.31 58.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.547 -174.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.419 ' OE1' HD12 ' A' ' 47' ' ' LEU . 74.3 mt-30 -76.15 -33.11 59.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.032 0.444 . . . . 0.0 109.975 177.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -87.43 -23.3 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.045 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.451 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 96.2 mt -76.86 106.38 8.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.969 0.414 . . . . 0.0 109.927 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.91 -24.18 64.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.542 -173.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.6 m -100.08 129.65 46.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.276 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.582 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 17.7 tp -63.02 -46.05 86.84 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.536 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 10.7 Cg_endo -55.33 -39.14 92.64 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 121.939 1.759 . . . . 0.0 112.451 175.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.54 86.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.872 0.367 . . . . 0.0 110.793 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.522 ' HB3' HD22 ' A' ' 49' ' ' LEU . 77.0 mt-30 -62.97 -53.86 47.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.339 177.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.93 -39.57 95.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.341 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.1 -36.58 84.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.45 -39.02 89.33 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.126 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.814 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.1 mt -59.47 -51.0 71.75 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.267 177.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.79 -48.97 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.567 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.7 -50.68 71.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.709 -175.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.9 t -164.87 78.99 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.784 0.802 . . . . 0.0 111.687 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.814 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 51.4 m -150.65 -174.97 4.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.609 169.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.2 m -101.64 -147.55 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.33 164.07 13.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.77 0.319 . . . . 0.0 110.519 -174.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.6 tp -121.55 117.29 26.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.197 -172.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -74.08 114.87 12.91 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 171.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.516 ' CG1' ' HB3' ' A' ' 36' ' ' GLU . 10.2 m -110.98 23.38 4.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.106 0.479 . . . . 0.0 111.736 -172.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.97 174.34 50.3 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.998 174.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 64.18 18.21 11.13 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.179 0.592 . . . . 0.0 111.742 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.21 13.74 79.44 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.472 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.487 ' HE3' ' CG2' ' A' ' 71' ' ' VAL . 34.1 ttpt -108.48 123.41 48.83 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.115 0.483 . . . . 0.0 110.387 -177.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -93.58 136.8 33.5 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.05 111.77 23.7 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.552 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . 5.7 tp-100 -116.86 131.39 56.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.903 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -128.41 129.47 46.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.176 0.512 . . . . 0.0 110.105 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.574 ' HD1' HD21 ' A' ' 15' ' ' LEU . 9.5 m-85 -105.82 123.13 47.45 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.679 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.67 111.22 13.22 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 171.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 m -140.86 102.61 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.448 0.642 . . . . 0.0 110.416 -176.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -93.04 160.66 14.76 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.492 -177.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 84' ' ' LEU . 1.5 pp -76.34 3.53 10.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.672 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 62.44 88.1 0.1 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.109 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -103.04 -30.09 10.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.425 -173.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.5 tp -118.47 143.39 46.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.898 0.38 . . . . 0.0 111.107 -176.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.49 133.89 45.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.005 173.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.507 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 3.4 m-70 -126.72 15.71 7.51 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 89' ' ' HIS . 41.5 m-70 74.79 -54.22 0.67 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -168.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -117.84 121.2 40.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.349 172.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -101.42 172.37 7.02 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.65 -25.88 14.56 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.84 -169.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.909 176.451 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -80.25 -176.03 3.0 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.764 2.31 . . . . 0.0 112.309 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -74.39 149.69 86.76 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.221 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.05 -171.38 0.68 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.445 2.097 . . . . 0.0 112.18 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.614 HD12 ' HB3' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -74.88 165.97 24.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.073 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.0 mtt -74.12 42.87 0.15 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 122.663 0.385 . . . . 0.0 111.782 -175.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 50.76 60.17 4.07 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 122.106 0.955 . . . . 0.0 110.848 -173.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.614 ' HB3' HD12 ' A' ' 5' ' ' LEU . 20.5 tt0 -79.88 146.52 32.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.797 -1.547 . . . . 0.0 109.737 177.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -88.54 126.51 35.3 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.793 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -110.93 -158.79 0.66 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -111.93 136.77 50.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.469 0.652 . . . . 0.0 111.976 -171.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -117.2 123.96 47.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.27 174.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.8 t -86.39 113.58 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG21 HD13 ' A' ' 29' ' ' LEU . 65.7 t -109.5 125.13 66.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.731 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.3 mt -96.35 113.81 25.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.594 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.89 155.79 45.46 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.137 -175.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.2 m -102.27 -61.27 1.41 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.441 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -102.56 -6.09 23.21 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -172.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 19.1 tm0? -116.47 96.56 48.26 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 19' ' ' GLN . 20.8 Cg_exo -66.51 127.66 17.71 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 123.273 2.648 . . . . 0.0 114.277 -168.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -178.5 156.54 0.93 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.9 172.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -106.5 -54.77 2.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.644 0.259 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -151.14 149.37 29.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -147.71 167.99 23.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.095 -178.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' A' ' 28' ' ' GLU . 3.2 p -81.92 168.2 18.15 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -48.4 -52.19 23.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.488 -176.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -60.79 -44.04 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.407 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.531 ' HB2' HD12 ' A' ' 24' ' ' LEU . 4.2 mm-40 -65.92 -41.14 91.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 -177.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.442 HD13 HG21 ' A' ' 14' ' ' VAL . 66.3 tp -63.18 -40.9 98.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.495 178.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -56.82 -52.57 64.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.133 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.58 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 65.6 mm-40 -65.83 -31.07 71.82 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.56 -178.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -68.25 -49.48 60.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.643 0.258 . . . . 0.0 110.355 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.3 mt -58.08 -49.26 77.54 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.399 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.58 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 9.2 ptmm? -64.58 -22.38 66.96 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -177.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.635 ' O ' ' HG3' ' A' ' 38' ' ' GLU . . . -84.22 -45.35 6.26 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.319 -0.944 . . . . 0.0 111.196 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.532 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 20.6 tp10 -64.01 -29.83 70.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.495 0.664 . . . . 0.0 109.762 177.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 tp -75.25 -40.35 58.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.625 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -72.9 -14.11 61.41 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.948 0.404 . . . . 0.0 110.86 -179.459 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 50.9 mtpt -65.8 -28.53 69.08 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.68 0.753 . . . . 0.0 109.962 169.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.406 HD11 HG12 ' A' ' 71' ' ' VAL . 56.5 mt -84.8 144.9 8.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.973 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -66.91 147.6 53.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.843 0.354 . . . . 0.0 110.702 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 79.7 m-85 -64.2 -26.85 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -172.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -95.69 -4.25 44.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.035 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -93.25 -32.4 14.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.103 0.478 . . . . 0.0 110.319 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.3 pp -73.4 164.94 57.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.793 178.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.556 ' HD2' HD12 ' A' ' 49' ' ' LEU . 97.7 Cg_exo -46.83 147.11 5.0 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.461 2.774 . . . . 0.0 113.704 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -43.58 96.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.49 -176.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.67 -38.73 75.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.56 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.636 ' HB2' HD13 ' A' ' 45' ' ' LEU . 31.4 mt -70.34 -29.94 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.243 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 42' ' ' PHE . 78.3 mt-30 -64.1 -35.06 79.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.321 177.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 31.6 mmtp -81.89 -21.15 37.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 95.5 mt -76.21 105.75 7.43 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 171.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -69.79 -21.37 63.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.25 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.8 p -103.05 130.05 50.04 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.048 0.451 . . . . 0.0 110.607 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.601 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 36.8 tp -61.98 -46.59 91.98 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.855 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.5 Cg_endo -53.09 -36.02 74.86 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.261 1.974 . . . . 0.0 113.054 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.86 -36.6 78.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 110.965 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.467 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 74.5 mt-30 -60.94 -50.15 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.965 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.427 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -67.25 -34.56 77.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.835 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -66.12 -40.05 90.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.653 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -62.86 -36.9 84.8 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.681 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 96.4 mt -58.9 -51.77 68.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.585 175.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.01 -39.45 85.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.284 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.38 -67.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.627 -175.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.2 47.17 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.681 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 45.9 m -117.52 -177.73 3.3 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.979 178.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.5 p -102.91 -147.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.543 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -94.14 161.76 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 111.137 -173.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.4 tp -118.21 113.98 22.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.286 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.24 129.36 34.56 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.516 HG11 ' HG3' ' A' ' 36' ' ' GLU . 17.0 m -130.15 15.61 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.26 0.466 . . . . 0.0 112.26 -171.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.51 -155.18 52.89 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.792 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 58.9 16.48 4.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 122.923 0.489 . . . . 0.0 111.52 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.21 18.31 79.76 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.424 -177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HE3' HG21 ' A' ' 71' ' ' VAL . 57.5 pttt -130.51 148.17 52.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.301 0.572 . . . . 0.0 111.03 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.86 131.03 56.98 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.404 HD22 ' HG2' ' A' ' 36' ' ' GLU . 48.3 tp -91.29 110.97 22.27 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -120.44 141.65 49.96 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.619 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.401 ' HZ2' ' HB3' ' A' ' 62' ' ' LEU . 37.2 p90 -147.87 139.85 24.11 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -133.43 129.44 37.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.15 0.5 . . . . 0.0 110.349 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.12 134.72 44.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.064 -177.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.9 m -123.51 104.17 13.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.249 0.547 . . . . 0.0 110.107 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -80.54 121.48 25.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.771 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.19 0.72 50.9 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 55.19 52.0 12.33 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.995 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -83.8 87.6 7.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.789 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.0 128.36 36.59 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 126.01 28.01 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.336 0.588 . . . . 0.0 112.312 -171.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -86.74 115.75 24.38 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 171.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -60.19 101.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.491 0.662 . . . . 0.0 111.041 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.478 ' O ' ' HB3' ' A' ' 92' ' ' HIS . 23.7 t60 -160.27 -179.78 8.01 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.478 ' HB3' ' O ' ' A' ' 91' ' ' HIS . 42.3 t-80 71.82 90.52 0.09 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.467 0.651 . . . . 0.0 109.671 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -115.86 -176.37 2.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.67 -176.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.9 p80 . . . . . 0 C--O 1.246 0.911 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.277 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -72.48 74.87 2.58 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.82 2.347 . . . . 0.0 111.509 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -75.41 163.03 70.3 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.551 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.92 -178.65 0.79 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.214 2.61 . . . . 0.0 113.452 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.584 HD12 ' HB3' ' A' ' 7' ' ' TYR . 2.2 pt? -63.26 164.17 9.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.186 -179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 6' ' ' MET . 48.8 ttp -84.11 39.5 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.031 0.919 . . . . 0.0 109.221 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.584 ' HB3' HD12 ' A' ' 5' ' ' LEU . 44.0 t80 -157.33 -166.67 2.1 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 -176.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -150.43 116.28 5.57 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.655 ' NE2' ' HB ' ' A' ' 26' ' ' THR . 14.7 mm100 -75.57 143.59 42.31 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.949 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -74.46 152.73 39.4 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.56 HD22 ' H ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -106.12 116.88 32.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.68 0.752 . . . . 0.0 109.344 176.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -100.56 132.11 46.12 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.311 -174.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.4 t -86.43 104.61 13.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 29' ' ' LEU . 61.0 t -111.35 134.47 53.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.338 -176.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.6 mt -117.04 128.19 54.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.033 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -116.71 159.58 22.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.386 0.612 . . . . 0.0 111.773 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.56 ' HB ' ' HB2' ' A' ' 75' ' ' LYS . 26.7 m -70.68 -50.14 39.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.867 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.42 -47.94 65.93 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.787 -169.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.454 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 20.0 mt-30 -134.8 146.51 59.15 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 19' ' ' GLN . 8.2 Cg_exo -72.26 127.06 12.27 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.566 2.178 . . . . 0.0 111.581 177.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -121.59 157.58 30.45 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -110.37 -66.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.108 -177.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -158.0 153.82 26.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.808 -177.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 24' ' ' LEU . 1.8 pt? -151.52 163.14 39.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.484 176.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p -79.99 167.74 20.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.317 0.579 . . . . 0.0 112.031 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.655 ' HB ' ' NE2' ' A' ' 9' ' ' GLN . 10.9 m -49.07 -43.66 41.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.873 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 49.0 mm -67.3 -40.11 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.51 -40.59 70.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.783 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 14' ' ' VAL . 45.7 tp -62.13 -37.04 83.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.018 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 18.3 mt -54.42 -58.07 8.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.456 173.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.504 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 4.4 mm-40 -56.87 -40.02 75.42 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.072 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -65.02 -47.74 76.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.826 0.346 . . . . 0.0 110.688 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.2 mt -67.41 -48.24 67.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.866 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 10.0 ptmm? -64.52 -26.72 68.55 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.28 -176.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.533 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -71.71 -44.55 48.17 Favored Glycine 0 C--O 1.238 0.362 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.006 177.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 27.4 mt-10 -80.48 -18.64 48.03 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.961 -0.729 . . . . 0.0 110.385 179.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -76.49 -37.97 55.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.629 174.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 12.4 pt-20 -70.66 -30.93 67.68 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.911 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.604 ' HG2' ' HA ' ' A' ' 36' ' ' GLU . 7.8 ptpp? -79.7 -12.36 59.81 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.005 175.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -81.89 143.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.53 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 m -68.61 144.02 54.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.066 0.46 . . . . 0.0 111.228 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -68.83 -16.72 63.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.595 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 p -90.53 -5.2 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.295 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -111.8 -27.57 8.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.619 -174.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.0 pp -72.86 154.37 91.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 176.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HD2' HD12 ' A' ' 49' ' ' LEU . 71.9 Cg_exo -51.19 147.84 19.69 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.188 2.592 . . . . 0.0 113.606 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.81 -33.26 72.74 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.289 -176.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 47.9 mt-10 -57.55 -38.09 74.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.918 0.39 . . . . 0.0 110.498 177.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.593 ' HB2' HD13 ' A' ' 45' ' ' LEU . 24.5 mt -73.24 -31.55 64.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.274 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -63.94 -29.15 70.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.523 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -83.08 -28.02 29.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.869 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 93.2 mt -74.99 109.15 8.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.134 0.493 . . . . 0.0 110.721 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.46 -28.55 67.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.261 -177.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 m -94.97 130.02 41.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.933 0.397 . . . . 0.0 111.202 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.557 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 40.6 tp -61.39 -47.7 92.98 Favored Pre-proline 0 CA--C 1.542 0.663 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.975 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.4 Cg_endo -56.06 -38.32 94.97 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.123 1.882 . . . . 0.0 112.617 177.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.0 94.61 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.918 0.39 . . . . 0.0 110.833 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 55' ' ' LEU . 46.3 mt-30 -60.83 -50.41 73.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.027 177.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.95 89.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -65.6 -41.39 92.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.059 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -55.7 -38.49 69.76 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.074 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 66' ' ' SER . 86.0 mt -63.2 -58.25 7.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.079 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.524 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 89.5 mt -49.79 -37.71 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.612 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.24 -55.22 6.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.58 -172.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.1 t -144.1 -0.37 1.01 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.534 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 39.5 m -125.26 124.8 42.45 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.396 -0.815 . . . . 0.0 112.14 -175.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 67.3 m -131.52 100.12 5.04 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.947 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 67' ' ' CYS . 7.6 mm-40 -173.91 118.28 0.26 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.159 175.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.6 tp -151.96 110.77 3.83 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.267 0.556 . . . . 0.0 111.382 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.412 ' HA ' ' CE1' ' A' ' 76' ' ' TYR . 20.7 t70 -88.55 95.5 10.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.119 173.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.478 HG21 ' HE3' ' A' ' 75' ' ' LYS . 30.2 m -87.32 -19.39 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.587 -175.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 73.72 -151.99 45.33 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.032 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 60.68 13.28 4.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.773 0.429 . . . . 0.0 111.896 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.67 5.03 88.64 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.757 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HB2' ' HB ' ' A' ' 17' ' ' THR . 48.1 pttt -121.14 168.97 10.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.367 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.412 ' CE1' ' HA ' ' A' ' 70' ' ' ASP . 5.8 m-85 -137.46 139.88 40.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.529 173.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.8 tp -115.97 128.3 55.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.381 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.26 159.23 42.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.93 174.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.524 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 24.3 p90 -144.87 136.72 25.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.083 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -101.87 98.29 8.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.769 0.795 . . . . 0.0 109.707 173.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.48 118.29 12.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.388 -175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.0 m -110.02 104.4 17.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.361 0.601 . . . . 0.0 110.537 177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 84' ' ' LEU . 90.8 mtt180 -90.14 126.64 35.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.851 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 83' ' ' ARG . 9.7 mp 72.18 -63.8 0.41 Allowed 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.622 0.576 . . . . 0.0 111.549 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 68.45 -64.54 0.3 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.752 0.821 . . . . 0.0 111.627 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -80.86 153.54 27.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.011 -173.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 56.0 tp -71.93 129.57 38.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.417 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 1.6 mp0 -59.6 118.06 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.212 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.446 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 16.1 t60 -83.42 -27.56 29.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.245 -179.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 89' ' ' HIS . 48.7 m-70 70.4 166.53 0.29 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.936 0.773 . . . . 0.0 111.218 -177.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.0 t60 71.76 10.22 6.3 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.417 172.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 64.02 -174.37 0.16 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.243 0.544 . . . . 0.0 111.16 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -150.93 145.41 25.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.738 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.5 m170 . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.247 -0.882 . . . . 0.0 109.927 176.717 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -84.36 120.3 2.48 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.076 2.517 . . . . 0.0 111.779 178.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -99.11 108.12 47.93 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.311 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -84.64 158.13 12.25 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.501 2.134 . . . . 0.0 112.762 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.59 ' H ' HD22 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -92.12 -20.82 20.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.362 -178.468 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 67.3 mtt 70.6 -53.43 0.66 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.645 0.778 . . . . 0.0 112.292 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -65.12 -49.09 71.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.922 0.391 . . . . 0.0 111.4 -173.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -73.87 110.3 8.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.359 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.5 pm0 -88.52 169.45 11.74 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.991 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.01 -179.15 5.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.8 0.334 . . . . 0.0 111.053 -178.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 19.8 p30 -142.1 152.26 43.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.089 0.471 . . . . 0.0 110.998 -178.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -130.37 153.9 48.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.372 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -89.37 117.28 32.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.321 0.581 . . . . 0.0 109.714 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -99.71 120.39 49.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.778 -174.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt -107.08 116.2 31.52 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.334 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -130.2 157.46 42.42 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' ' 75' ' ' LYS . 32.6 m -67.82 -29.29 68.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.255 -178.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -98.54 -49.32 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.393 -176.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 48.8 mt-30 -85.23 145.66 43.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.766 0.317 . . . . 0.0 110.923 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 19' ' ' GLN . 29.4 Cg_exo -62.9 157.71 46.91 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.766 2.311 . . . . 0.0 111.893 174.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' A' ' 21' ' ' GLU . 6.9 pt-20 -61.65 103.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.41 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -123.22 165.31 17.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.243 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -118.61 131.97 56.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.943 0.402 . . . . 0.0 109.983 176.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 pp -138.19 163.22 32.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.623 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER -80.64 169.3 17.82 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.191 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.47 -53.55 36.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.75 -175.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 mm -59.79 -41.56 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.272 0.558 . . . . 0.0 110.896 -175.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -60.75 -44.02 97.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.427 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.1 tp -68.04 -36.84 80.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.216 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.2 mt -55.44 -57.45 11.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.191 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.48 -29.59 70.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.416 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -67.9 -50.44 56.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 175.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.74 -45.15 94.05 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.36 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -51.66 -46.46 63.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.54 -44.73 57.09 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.807 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' HD13 ' A' ' 40' ' ' ILE . 44.5 mt-10 -75.55 -19.08 59.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.977 0.418 . . . . 0.0 110.942 -177.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' A' ' 58' ' ' GLN . 60.9 tp -81.27 -42.57 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.827 176.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.39 -24.5 64.78 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.247 -178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HD3' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -83.13 -10.76 58.48 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.805 175.71 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.583 HG22 HD23 ' A' ' 45' ' ' LEU . 1.1 mp -81.86 141.91 14.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 m -70.35 143.25 52.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.73 0.3 . . . . 0.0 110.835 -177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.516 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 88.2 m-85 -65.35 -20.33 66.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.173 0.511 . . . . 0.0 110.701 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 m -75.9 -17.08 59.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.77 177.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -103.25 -33.17 9.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.933 -174.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.583 HD23 HG22 ' A' ' 40' ' ' ILE . 3.9 pp -78.17 147.82 73.59 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.406 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.589 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 19.6 Cg_endo -58.4 156.05 32.81 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 123.049 2.499 . . . . 0.0 113.411 -176.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.437 ' HG ' ' HE2' ' A' ' 51' ' ' LYS . 64.7 tp -61.5 -27.89 68.91 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.225 -177.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -57.03 -42.6 80.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.304 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.589 ' HG ' ' HG2' ' A' ' 46' ' ' PRO . 44.8 mt -75.48 -27.31 58.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.276 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -67.92 -29.95 69.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.589 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.437 ' HE2' ' HG ' ' A' ' 47' ' ' LEU . 68.1 mttm -81.61 -33.62 31.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.948 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.34 111.64 3.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.15 0.5 . . . . 0.0 110.246 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -73.29 -15.31 61.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.321 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 p -111.13 128.49 55.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.095 0.474 . . . . 0.0 111.388 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.591 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 54.0 tp -57.53 -46.9 99.74 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.939 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.3 Cg_endo -53.41 -41.91 69.5 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.304 2.003 . . . . 0.0 112.824 176.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.01 81.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.64 0.257 . . . . 0.0 110.856 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' HB3' HD21 ' A' ' 37' ' ' LEU . 80.2 mt-30 -59.54 -54.78 42.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.459 176.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.82 -37.8 88.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.047 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.24 -42.83 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.558 ' HA ' ' OD2' ' A' ' 64' ' ' ASP . 37.3 t60 -67.74 -32.39 72.97 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.19 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 59' ' ' ALA . 92.4 mt -59.18 -46.37 88.57 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 173.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.7 mt -61.63 -37.32 77.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.994 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.558 ' OD2' ' HA ' ' A' ' 61' ' ' HIS . 57.5 m-20 -59.28 -39.03 81.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.064 -178.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 66' ' ' SER . 1.8 t -106.76 -79.03 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.806 -0.357 . . . . 0.0 111.513 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.731 ' H ' HG23 ' A' ' 65' ' ' THR . 18.0 m 162.28 173.37 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.199 1.4 . . . . 0.0 108.184 -171.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.421 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 48.1 t 179.72 154.0 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -110.41 117.5 33.76 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.1 tp -118.0 116.34 26.7 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.835 -170.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -81.29 115.69 20.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 169.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 75' ' ' LYS . 12.6 m -85.88 7.36 2.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 120.906 0.384 . . . . 0.0 111.772 -172.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.01 -36.55 3.79 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.018 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.45 21.85 2.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.878 0.37 . . . . 0.0 111.384 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.34 -3.43 77.71 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.365 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . 39.9 mtmt -89.38 137.72 32.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -111.6 120.78 43.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.958 0.408 . . . . 0.0 110.031 178.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -89.32 117.02 27.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.411 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -129.3 141.03 51.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.899 178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.421 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 9.5 p90 -149.6 148.12 28.95 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -142.05 153.44 44.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 170.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.77 134.93 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.705 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.7 m -103.7 104.34 16.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.433 0.635 . . . . 0.0 110.731 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -132.1 121.81 24.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.989 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.769 ' HB2' ' HA ' ' A' ' 87' ' ' LEU . 1.6 pt? -101.46 -36.1 8.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.309 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 62.06 -83.28 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.874 0.734 . . . . 0.0 110.628 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 50.4 mttm -108.76 28.86 7.99 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.769 ' HA ' ' HB2' ' A' ' 84' ' ' LEU . 8.4 mp 70.52 -57.27 0.58 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -165.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -71.22 113.04 7.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 169.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -108.29 28.61 8.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.581 0.705 . . . . 0.0 109.646 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -64.89 -34.76 79.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.478 -1.237 . . . . 0.0 112.31 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -60.03 -38.02 81.49 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.679 -174.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 47.71 -93.77 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.147 0.579 . . . . 0.0 111.62 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 34.5 m170 59.97 -171.33 0.13 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.251 0.548 . . . . 0.0 111.715 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.239 -0.886 . . . . 0.0 109.294 172.612 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.683 0.278 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.62 92.38 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.284 1.989 . . . . 0.0 112.341 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.05 124.54 82.9 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.529 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -81.9 19.58 1.21 Allowed 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 123.184 2.589 . . . . 0.0 113.711 -174.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -151.13 143.63 24.27 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 79.9 mmm -84.75 -33.88 22.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.946 0.403 . . . . 0.0 110.698 -176.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.36 97.7 7.72 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.57 HE21 ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -65.46 -36.7 84.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.971 -173.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.464 ' HG2' HG12 ' A' ' 27' ' ' ILE . 47.6 mt-30 -106.92 141.12 38.64 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.49 0.662 . . . . 0.0 112.404 -170.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.496 ' O ' ' HA ' ' A' ' 25' ' ' THR . 5.2 t70 -115.52 -173.49 2.34 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 169.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.51 129.1 56.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.587 0.708 . . . . 0.0 111.451 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -128.44 134.78 48.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.839 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . 7.6 p -86.68 119.78 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.442 0.639 . . . . 0.0 109.744 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' A' ' 29' ' ' LEU . 58.2 t -107.31 114.87 47.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.727 -175.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.1 mt -91.36 101.99 14.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.733 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' O ' ' A' ' 19' ' ' GLN . 1.2 tm-20 -104.17 157.93 16.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.737 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -86.85 -45.46 10.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.743 0.306 . . . . 0.0 111.179 -174.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -79.49 -51.88 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.056 0.455 . . . . 0.0 110.781 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.481 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 15.3 mm100 -109.29 102.26 48.58 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.35 127.2 16.95 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.067 1.845 . . . . 0.0 110.351 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -137.81 162.88 32.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.77 0.319 . . . . 0.0 110.427 -173.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -96.27 -141.88 0.27 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.984 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.559 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 29.0 p90 -91.04 126.83 36.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.041 0.448 . . . . 0.0 110.944 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.32 172.57 7.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.803 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 10' ' ' ASP . 9.9 p -81.79 161.55 23.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.205 0.526 . . . . 0.0 112.299 -174.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.6 m -53.93 -44.63 70.77 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.111 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.464 HG12 ' HG2' ' A' ' 9' ' ' GLN . 38.2 mm -67.05 -39.36 83.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.95 0.405 . . . . 0.0 110.809 -177.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.09 -41.06 95.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.959 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.429 HD13 ' CG2' ' A' ' 14' ' ' VAL . 38.6 tp -63.51 -41.67 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.459 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -56.61 -51.51 68.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.495 -179.465 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.44 -34.09 77.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.585 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 26.9 mtpp -62.48 -49.77 74.07 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 173.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 33' ' ' LEU . 45.3 mt -60.42 -42.51 96.17 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.232 178.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 56.4 mtpt -55.72 -53.13 60.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.622 0.249 . . . . 0.0 110.584 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.34 -43.22 95.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.495 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.563 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -71.22 -19.57 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.677 0.275 . . . . 0.0 111.388 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 tp -86.33 -39.1 16.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.635 0.255 . . . . 0.0 110.933 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.527 ' HB3' HD21 ' A' ' 55' ' ' LEU . 13.0 pt-20 -73.41 -20.0 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.637 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -80.02 -5.11 55.18 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.542 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.563 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.7 mp -99.13 145.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 172.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 22.9 t -56.22 133.8 52.68 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.245 0.545 . . . . 0.0 110.957 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -69.59 -19.08 63.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.893 -175.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.1 p -93.88 -8.33 40.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 3.8 m-20 -115.62 -9.65 11.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.861 -172.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' A' ' 49' ' ' LEU . 2.1 pp -68.07 158.16 84.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.51 175.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.56 ' HD2' HD12 ' A' ' 49' ' ' LEU . 84.5 Cg_exo -44.06 143.38 3.32 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.559 2.839 . . . . 0.0 114.233 -175.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.31 -29.93 67.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.983 -176.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.2 -35.2 79.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.401 0.62 . . . . 0.0 110.672 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.657 ' HB2' HD13 ' A' ' 45' ' ' LEU . 28.9 mt -75.83 -20.5 58.12 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.683 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -76.81 -25.57 53.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.177 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -72.32 -34.83 68.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.244 0.545 . . . . 0.0 110.023 174.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.491 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 43.1 mt -79.7 137.68 37.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.266 175.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -85.08 -37.78 19.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.955 0.407 . . . . 0.0 111.209 -173.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 8.7 t -102.7 144.25 31.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -173.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 38' ' ' GLU . 25.5 tp -62.79 -50.46 77.53 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.243 -177.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.9 Cg_endo -55.32 -39.22 92.19 Favored 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 122.102 1.868 . . . . 0.0 112.26 177.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.02 -36.38 83.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.397 . . . . 0.0 110.687 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB3' HD22 ' A' ' 49' ' ' LEU . 78.3 mt-30 -62.24 -51.56 67.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.655 178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.53 86.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.26 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -45.64 83.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.193 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -62.45 -26.53 68.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.8 -50.72 67.87 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.2 mt -56.03 -32.46 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.528 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -68.98 -70.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.73 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.8 p -103.74 -41.28 5.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 m -127.46 124.99 39.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -164.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.417 ' HA ' ' CZ2' ' A' ' 79' ' ' TRP . 13.8 p -114.48 101.24 8.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.423 . . . . 0.0 109.895 175.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.6 125.17 0.38 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.185 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.0 tp -167.67 131.82 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.608 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 2.1 p30 -110.33 148.05 32.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 168.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.517 ' HA ' HD11 ' A' ' 40' ' ' ILE . 27.0 m -119.92 19.6 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.831 -171.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.68 -172.2 32.45 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.247 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.02 97.93 5.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.965 0.412 . . . . 0.0 110.705 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.22 3.15 56.73 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.698 -0.683 . . . . 0.0 113.02 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -131.74 140.98 49.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.228 0.537 . . . . 0.0 111.059 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 70' ' ' ASP . 35.9 p90 -137.94 170.27 16.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.784 -175.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.536 HD22 ' HG2' ' A' ' 36' ' ' GLU . 31.9 tp -136.6 112.22 9.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.588 177.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -132.06 139.74 48.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.021 0.438 . . . . 0.0 111.121 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.417 ' CZ2' ' HA ' ' A' ' 67' ' ' CYS . 18.3 p90 -135.85 146.81 47.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.691 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -140.25 151.2 44.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.857 0.36 . . . . 0.0 110.467 175.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.18 118.11 15.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.565 -174.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 m -104.9 105.23 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.499 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -112.74 120.14 40.48 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.357 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.6 tp -81.61 56.45 2.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.192 0.52 . . . . 0.0 110.813 -174.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -168.32 144.0 3.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.284 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.545 ' HD2' ' O ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -138.65 89.68 2.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.847 175.204 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.878 ' H ' HD23 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -64.06 -93.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.74 -177.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.763 ' H ' ' HG ' ' A' ' 87' ' ' LEU . 36.3 mm-40 52.63 -166.53 0.06 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.219 0.533 . . . . 0.0 111.68 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.5 m80 61.0 18.81 9.28 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.464 167.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -82.63 61.53 5.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.568 0.699 . . . . 0.0 110.636 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -161.52 -176.02 5.1 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -78.08 89.08 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.704 -0.799 . . . . 0.0 108.844 169.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -57.29 -37.46 72.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.283 -174.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.407 178.373 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.442 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 24.3 ttt . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.614 0.245 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 17.5 Cg_exo -67.38 140.09 51.66 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.566 2.177 . . . . 0.0 111.369 175.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.428 ' HB3' ' HD2' ' A' ' 4' ' ' PRO . 10.9 m-20 -78.83 165.43 49.39 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.619 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 3' ' ' ASP . 74.0 Cg_exo -49.75 163.6 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.344 2.696 . . . . 0.0 113.585 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.793 ' H ' HD23 ' A' ' 5' ' ' LEU . 1.4 pt? -77.32 20.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.652 -173.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.477 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 23.7 ttt 75.12 -43.21 0.5 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.55 0.74 . . . . 0.0 110.601 -178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -90.22 -143.44 0.16 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 173.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -168.63 -50.51 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.517 ' HB2' ' HB ' ' A' ' 26' ' ' THR . 19.4 pm0 -72.76 148.81 44.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.433 172.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.11 -177.37 6.42 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.972 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -121.25 134.32 55.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.444 0.64 . . . . 0.0 110.826 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.594 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 9.4 m-85 -109.03 138.11 45.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.939 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.8 m -89.63 100.08 10.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 172.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.446 HG21 HD13 ' A' ' 29' ' ' LEU . 91.4 t -92.72 114.07 28.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.699 -174.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.8 mt -97.99 110.69 23.22 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.334 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -116.63 155.13 29.3 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.506 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -54.61 -30.9 56.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.898 0.38 . . . . 0.0 111.658 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -109.6 3.92 21.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.024 0.44 . . . . 0.0 110.979 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -154.73 83.49 3.95 Favored Pre-proline 0 C--N 1.328 -0.343 0 O-C-N 122.098 -0.376 . . . . 0.0 111.772 -176.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -87.61 163.84 7.88 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.742 2.295 . . . . 0.0 112.379 173.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 64.27 21.27 12.47 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 167.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 22' ' ' GLN . 6.0 tp60 -113.85 134.25 54.91 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.674 -0.641 . . . . 0.0 111.291 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -113.75 143.27 44.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.998 177.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -146.78 159.77 43.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.886 178.721 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.464 ' HB ' ' HG3' ' A' ' 9' ' ' GLN . 35.7 p -76.78 162.35 27.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.805 0.336 . . . . 0.0 111.621 -176.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 9' ' ' GLN . 5.4 m -50.82 -41.51 57.58 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.198 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.4 -43.73 97.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.749 0.309 . . . . 0.0 110.629 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.48 -43.15 98.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.491 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.446 HD13 HG21 ' A' ' 14' ' ' VAL . 65.4 tp -63.92 -39.06 93.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.758 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.498 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -58.4 -49.95 75.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.73 -33.17 70.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.746 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HG2' ' OE1' ' A' ' 36' ' ' GLU . 64.5 tttm -64.12 -52.5 58.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.908 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.7 mt -56.36 -44.49 80.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.243 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 30' ' ' LEU . 8.3 mtmp? -55.51 -49.93 71.28 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.321 -178.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.28 -43.97 97.68 Favored Glycine 0 C--O 1.235 0.217 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 48.2 mt-10 -71.38 -33.03 69.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.743 0.306 . . . . 0.0 110.682 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.9 tp -72.55 -42.72 64.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.952 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.51 -20.71 62.01 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.454 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 19.7 pttp -89.9 3.59 52.55 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.981 0.42 . . . . 0.0 110.398 175.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mp -93.15 145.52 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.407 ' HB2' ' OD1' ' A' ' 44' ' ' ASP . 21.5 m -68.39 137.31 54.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.675 0.274 . . . . 0.0 110.341 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -57.98 -27.62 63.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.425 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 m -67.14 -27.54 67.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.224 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.407 ' OD1' ' HB2' ' A' ' 41' ' ' SER . 5.3 m-20 -86.96 -34.94 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.803 -174.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 pp -76.43 151.03 82.96 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.557 0.218 . . . . 0.0 111.166 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.586 ' HD2' HD12 ' A' ' 49' ' ' LEU . 93.0 Cg_exo -45.94 148.8 2.54 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.967 3.112 . . . . 0.0 114.22 -178.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.8 -38.23 87.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.529 -176.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -66.22 -30.21 70.62 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.632 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.586 HD12 ' HD2' ' A' ' 46' ' ' PRO . 36.9 mt -73.42 -28.23 61.87 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 176.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.39 -29.06 68.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.055 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -76.71 -32.74 58.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.568 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.65 109.42 9.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.604 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -76.2 -20.44 57.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.878 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -90.92 125.62 35.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.221 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.575 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 19.6 tp -63.9 -47.86 79.85 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.635 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 15.1 Cg_endo -56.31 -34.27 93.48 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.179 1.919 . . . . 0.0 112.319 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.47 92.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.706 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -64.8 -49.88 68.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.404 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.35 96.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.957 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.469 ' HG2' HD21 ' A' ' 30' ' ' LEU . 3.7 mm-40 -60.77 -43.74 97.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 176.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -55.97 -46.4 78.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.182 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -55.22 -53.73 52.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.826 178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.588 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 80.7 mt -55.04 -39.7 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.706 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -84.43 -16.75 41.52 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -174.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.7 p -105.23 -63.87 1.19 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 m -154.47 159.78 41.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.879 0.371 . . . . 0.0 111.839 -172.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 78' ' ' GLN . 11.7 t -102.53 104.08 14.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.892 175.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -171.64 117.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.701 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.4 tp -166.76 135.34 2.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.881 0.372 . . . . 0.0 110.661 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -98.1 112.83 24.65 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 172.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.507 HG23 ' HB2' ' A' ' 75' ' ' LYS . 18.9 m -91.3 19.09 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.855 0.36 . . . . 0.0 111.715 -172.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 74.15 174.82 31.73 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.351 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.89 14.93 8.74 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.042 0.537 . . . . 0.0 111.665 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.39 18.37 66.69 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.085 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HB2' HG23 ' A' ' 71' ' ' VAL . 43.7 mtmt -108.76 143.8 37.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.022 0.439 . . . . 0.0 110.776 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -108.59 157.63 18.32 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.4 tp -129.4 118.26 21.9 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.467 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.452 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 26.0 mt-30 -113.52 130.77 56.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.644 171.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.588 ' HE1' ' HA ' ' A' ' 63' ' ' ILE . 24.8 p90 -137.99 122.31 18.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.208 0.528 . . . . 0.0 109.902 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -141.34 131.95 25.53 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.188 0.518 . . . . 0.0 110.329 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . . . -75.71 135.07 40.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.777 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.1 m -82.97 101.65 7.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 122.112 0.958 . . . . 0.0 109.594 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -130.78 119.08 21.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.678 -1.146 . . . . 0.0 107.956 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.587 HD11 ' HA ' ' A' ' 88' ' ' GLU . 17.3 tp -152.14 -85.0 0.08 Allowed 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -175.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.424 ' H ' ' HB3' ' A' ' 84' ' ' LEU . 15.7 mm-40 42.59 -87.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 O-C-N 124.623 1.202 . . . . 0.0 112.79 173.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -55.38 -39.8 70.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.677 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 88' ' ' GLU . 38.9 tp -168.81 159.78 9.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.867 0.365 . . . . 0.0 111.432 -176.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.587 ' HA ' HD11 ' A' ' 84' ' ' LEU . 8.4 tp10 -73.27 164.54 26.52 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.566 172.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -49.15 120.68 4.16 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 176.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -82.93 73.34 9.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.319 0.581 . . . . 0.0 110.868 -172.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -124.84 138.44 54.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.484 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -137.24 20.19 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.868 0.366 . . . . 0.0 111.142 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -73.13 -31.4 64.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.588 170.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.861 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 27.2 ttt . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 119.729 -0.177 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.861 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 7.0 Cg_exo -74.77 -19.84 18.04 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.695 1.597 . . . . 0.0 110.443 174.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.55 123.15 72.64 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.855 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.02 -20.83 28.44 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.163 1.909 . . . . 0.0 111.801 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.8 tp -168.73 82.96 0.15 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.831 -177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.8 ttt -80.2 -30.16 38.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.256 0.55 . . . . 0.0 110.777 -177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -83.19 6.49 19.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.013 -176.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 62.82 -168.31 0.2 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.877 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.521 ' HG2' HG22 ' A' ' 25' ' ' THR . 34.3 tt0 -63.93 107.02 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.234 0.54 . . . . 0.0 109.869 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -112.24 176.99 4.79 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.539 -176.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -108.65 135.93 49.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.045 0.45 . . . . 0.0 110.891 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.11 134.45 53.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.959 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.9 t -87.75 107.33 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.541 HG21 HD13 ' A' ' 29' ' ' LEU . 43.4 t -100.89 104.24 15.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.073 0.463 . . . . 0.0 110.267 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' HB2' ' HE2' ' A' ' 80' ' ' TYR . 74.8 mt -93.13 102.24 14.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.522 ' HB3' ' HB2' ' A' ' 19' ' ' GLN . 26.1 tt0 -90.76 161.4 15.33 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 m -51.09 -34.1 28.88 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -120.08 9.28 11.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.522 ' HB2' ' HB3' ' A' ' 16' ' ' GLU . 3.8 mm100 -123.76 100.78 37.08 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 121.1 0.476 . . . . 0.0 111.872 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -86.36 136.8 4.85 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 123.115 2.544 . . . . 0.0 113.187 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 60.43 32.51 20.6 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 174.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -89.23 91.82 8.93 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.826 175.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -98.83 134.49 41.63 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.456 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -140.58 163.16 33.6 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.05 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.521 HG22 ' HG2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -80.55 170.45 16.33 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.602 -173.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 m -51.65 -49.16 62.86 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -173.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 mm -67.11 -46.18 85.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.961 0.41 . . . . 0.0 111.297 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -63.05 -36.86 84.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.008 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.541 HD13 HG21 ' A' ' 14' ' ' VAL . 47.5 tp -66.51 -38.05 86.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.395 175.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.96 -46.47 87.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.569 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 36.9 mt-10 -66.97 -35.49 80.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.587 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -67.15 -48.33 68.36 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.216 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 33' ' ' LEU . 29.3 mt -64.79 -39.07 93.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.624 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 14.1 ptmm? -66.18 -27.21 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.605 -178.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HG2' ' A' ' 38' ' ' GLU . . . -75.08 -50.62 8.35 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.583 -0.817 . . . . 0.0 111.696 175.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.531 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -59.85 -39.76 86.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 177.691 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD22 HD11 ' A' ' 62' ' ' LEU . 58.3 tp -69.87 -41.32 74.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.444 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 15.7 pt-20 -71.89 -21.64 61.61 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.356 -175.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -88.43 -4.87 58.56 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.654 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.531 HD13 ' O ' ' A' ' 36' ' ' GLU . 1.4 mp -93.47 143.05 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 174.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.04 141.09 57.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.555 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 91.0 m-85 -63.39 -29.22 70.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.976 -178.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 p -71.31 -14.74 62.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.509 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.17 -39.31 10.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.449 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' A' ' 49' ' ' LEU . 4.0 pp -74.23 156.49 87.46 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.869 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.587 ' HG2' ' HG ' ' A' ' 49' ' ' LEU . 17.1 Cg_endo -58.41 149.55 73.71 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.034 2.489 . . . . 0.0 113.147 -177.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.52 -30.3 71.18 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.305 -173.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 52.6 mm-40 -60.04 -33.85 72.6 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.175 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.731 ' HB2' HD13 ' A' ' 45' ' ' LEU . 42.1 mt -70.33 -33.96 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.008 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.87 -27.31 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 110.506 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -80.24 -27.21 38.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.506 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 78.2 mt -77.02 123.53 26.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.189 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.27 -37.09 74.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.863 -174.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 28.2 m -100.37 137.9 38.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 -175.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.563 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -61.22 -47.6 93.98 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.472 176.382 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 7.4 Cg_endo -50.72 -39.75 56.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.008 1.806 . . . . 0.0 111.89 174.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -42.8 91.04 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.458 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.506 ' HG2' ' HB2' ' A' ' 52' ' ' LEU . 77.6 mt-30 -59.68 -55.52 33.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.212 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.525 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -62.3 -33.96 75.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.458 -176.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -64.56 -40.95 96.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.645 177.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -68.12 -29.59 68.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.667 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 49' ' ' LEU . 95.8 mt -61.78 -50.36 72.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.096 174.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.64 -38.74 79.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.756 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.87 -43.14 99.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.888 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.68 ' O ' ' HB2' ' A' ' 66' ' ' SER . 20.9 p -96.9 -81.53 0.42 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.68 ' HB2' ' O ' ' A' ' 65' ' ' THR . 1.9 t 149.91 169.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.281 1.432 . . . . 0.0 108.041 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.471 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 46.3 t -173.54 147.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.808 0.337 . . . . 0.0 110.489 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.82 117.08 31.33 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 172.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.3 tp -127.19 134.0 50.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.057 -170.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 3.4 p-10 -101.15 135.93 41.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 171.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.6 m -103.12 16.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.202 -173.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.63 145.21 16.14 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.768 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 75' ' ' LYS . . . 64.41 28.33 13.6 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.066 0.547 . . . . 0.0 111.65 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.2 0.2 90.06 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.115 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 73' ' ' ALA . 37.6 mtmm -83.69 128.52 34.59 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 70' ' ' ASP . 42.7 m-85 -107.99 147.98 30.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.251 0.548 . . . . 0.0 111.21 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.3 tp -118.24 124.93 49.07 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.797 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -137.51 130.23 30.05 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.471 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 29.0 p90 -108.12 128.99 55.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.211 0.529 . . . . 0.0 109.751 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.448 ' HE2' ' HB2' ' A' ' 15' ' ' LEU . 87.5 m-85 -102.35 110.44 22.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.651 -177.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.92 110.48 15.34 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 170.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.66 103.49 3.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.435 0.636 . . . . 0.0 110.568 -174.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.2 mtp-105 -107.97 120.34 42.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.773 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.7 tp -142.28 -62.67 0.44 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.175 0.512 . . . . 0.0 109.873 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -125.59 -166.98 1.62 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.915 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -77.47 -8.87 58.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.508 0.194 . . . . 0.0 110.958 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 92.4 mt 58.05 57.67 3.94 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.057 173.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 58.46 45.84 15.97 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.606 0.717 . . . . 0.0 110.708 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -81.99 -2.74 52.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.894 0.854 . . . . 0.0 108.719 175.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -76.13 119.39 19.99 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.601 174.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -67.0 143.04 57.01 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.411 0.624 . . . . 0.0 111.346 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -132.78 164.06 27.67 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.824 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -76.97 152.68 35.15 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.741 -174.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 . . . . . 0 C--O 1.247 0.922 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 171.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 25.5 ptt? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.576 0.226 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 8.3 Cg_exo -73.1 -63.99 0.03 OUTLIER 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.886 2.39 . . . . 0.0 112.261 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -109.49 150.15 40.79 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.805 -177.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -76.88 -27.22 7.27 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.879 2.386 . . . . 0.0 113.167 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.0 tp -101.85 54.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.394 0.616 . . . . 0.0 110.58 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.4 ptp -70.51 -4.0 20.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.249 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.466 ' HB3' ' HG3' ' A' ' 9' ' ' GLN . 65.4 m-85 -93.71 -45.37 7.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.678 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 58.25 28.3 16.42 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.174 -174.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.466 ' HG3' ' HB3' ' A' ' 7' ' ' TYR . 28.2 mt-30 -81.44 108.68 15.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.934 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -86.84 176.53 7.65 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.638 HD22 ' H ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -122.87 135.47 54.53 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.237 0.541 . . . . 0.0 110.413 -178.116 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 31.9 m-85 -125.21 136.0 53.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.104 -175.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -87.31 105.21 14.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.575 0.702 . . . . 0.0 109.999 177.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.466 HG21 HD12 ' A' ' 24' ' ' LEU . 72.0 t -88.0 133.18 31.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.141 -176.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.9 mt -119.39 107.2 13.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.505 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.85 152.05 23.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 173.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 m -64.37 -35.23 80.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.129 0.49 . . . . 0.0 110.034 174.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.83 -60.99 1.97 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.673 177.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -114.44 99.75 51.8 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -78.76 128.35 8.48 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.964 2.443 . . . . 0.0 112.808 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 70.62 95.81 0.07 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.392 173.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.488 ' HB2' ' OE1' ' A' ' 19' ' ' GLN . 8.6 tp-100 -141.6 121.09 13.25 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.28 171.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -84.03 115.47 22.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.155 0.502 . . . . 0.0 110.549 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.535 HD12 HD13 ' A' ' 29' ' ' LEU . 13.2 mt -113.31 149.06 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.824 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.18 175.15 9.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 170.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -54.69 -43.74 72.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -71.52 -46.94 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 110.862 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -57.36 -40.81 78.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.191 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.535 HD13 HD12 ' A' ' 24' ' ' LEU . 29.9 tp -72.85 -35.94 67.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.378 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 12.3 mt -55.64 -57.08 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.828 175.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.471 ' HA ' ' HD3' ' A' ' 34' ' ' LYS . 41.8 mt-10 -62.32 -30.42 71.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.354 -177.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -67.99 -48.5 65.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.901 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.87 -39.27 90.55 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.362 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 31' ' ' GLU . 9.7 mtpm? -57.42 -44.48 84.64 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.498 ' HA2' ' HG2' ' A' ' 38' ' ' GLU . . . -73.76 -42.46 38.82 Favored Glycine 0 C--O 1.238 0.353 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.245 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -58.56 -43.89 89.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.881 -0.659 . . . . 0.0 109.938 177.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.2 tp -70.6 -42.23 71.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.894 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' HG2' ' HA2' ' A' ' 35' ' ' GLY . 11.0 pt-20 -69.01 -23.14 64.05 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.688 -174.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -92.89 2.08 56.96 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.245 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mp -86.15 145.57 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 170.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 m -59.3 128.17 35.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.843 0.354 . . . . 0.0 110.765 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -68.54 -16.96 64.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.985 0.422 . . . . 0.0 110.896 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -95.42 10.15 37.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.799 175.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -114.69 -33.33 5.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.693 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.0 pp -65.63 151.72 94.09 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.483 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.15 158.77 8.76 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.568 2.845 . . . . 0.0 113.546 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 50' ' ' GLN . 40.1 tp -66.9 -28.24 68.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.521 -176.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -51.41 -44.36 62.23 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.304 0.573 . . . . 0.0 110.633 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.693 ' HB2' HD13 ' A' ' 45' ' ' LEU . 37.4 mt -77.97 -21.07 51.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.425 -176.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' HB2' HD12 ' A' ' 47' ' ' LEU . 47.8 mt-30 -78.05 -25.05 47.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.011 178.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.69 -34.6 40.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.246 0.546 . . . . 0.0 109.835 175.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.0 mt -73.36 140.47 46.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.245 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -100.14 -27.98 13.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.038 -177.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -93.58 131.51 38.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.933 0.397 . . . . 0.0 111.041 -176.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' HA ' HE21 ' A' ' 58' ' ' GLN . 52.8 tp -59.29 -45.62 99.14 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.502 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 55' ' ' LEU . 31.4 Cg_exo -58.54 -40.17 76.56 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.817 1.678 . . . . 0.0 111.76 176.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.84 92.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.874 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.502 HE21 ' HA ' ' A' ' 55' ' ' LEU . 49.0 mt-30 -61.04 -49.94 75.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.559 177.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.25 94.73 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.147 0.499 . . . . 0.0 110.92 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.7 -41.11 98.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.394 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.539 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 71.8 t60 -67.06 -26.04 66.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.777 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 58' ' ' GLN . 96.7 mt -61.23 -62.57 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 173.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.6 mt -56.88 -35.19 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 110.397 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.539 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 23.2 t70 -60.16 -38.49 83.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.966 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.0 p -129.68 -66.22 0.81 Allowed 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -173.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.6 m -110.72 132.06 54.52 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -164.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.497 ' HA ' ' CZ2' ' A' ' 79' ' ' TRP . 43.8 t -101.64 102.25 12.91 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -172.55 118.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.445 -174.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD23 HD23 ' A' ' 77' ' ' LEU . 28.7 tp -166.37 110.69 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.194 0.521 . . . . 0.0 110.767 175.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -91.41 101.51 14.18 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.5 HG21 ' HE3' ' A' ' 75' ' ' LYS . 26.9 m -85.56 -1.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.847 -171.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.39 -161.56 54.19 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.357 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 60.95 12.0 3.65 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.776 0.43 . . . . 0.0 111.733 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.31 1.65 74.9 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.225 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HE3' HG21 ' A' ' 71' ' ' VAL . 53.3 pttt -119.92 158.8 25.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.212 0.506 . . . . 0.0 111.216 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -119.43 170.8 8.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.081 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.557 HD23 HD23 ' A' ' 69' ' ' LEU . 58.2 tp -135.8 119.46 17.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.762 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -127.07 138.45 53.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.797 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.497 ' CZ2' ' HA ' ' A' ' 67' ' ' CYS . 38.5 p90 -140.74 126.61 19.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.06 0.457 . . . . 0.0 110.577 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -140.93 150.65 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.999 0.428 . . . . 0.0 110.554 175.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . . . -84.5 142.86 29.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.438 -176.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 m -114.45 105.51 18.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.521 172.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.403 ' C ' HD12 ' A' ' 84' ' ' LEU . 3.8 mmp_? -85.11 119.3 25.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.963 -175.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 83' ' ' ARG . 7.0 mp -131.44 116.18 17.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.518 175.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -90.4 159.63 16.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -83.8 66.22 8.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.301 0.572 . . . . 0.0 110.238 177.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.509 ' H ' HD23 ' A' ' 87' ' ' LEU . 2.5 pt? -61.47 -33.62 74.07 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.759 178.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -112.56 102.5 10.59 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.669 174.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -90.73 -1.98 57.83 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -69.17 94.01 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.893 -1.048 . . . . 0.0 109.518 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -131.44 110.9 11.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -173.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -121.1 98.51 6.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.275 176.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -141.26 7.75 2.0 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.436 0.636 . . . . 0.0 109.482 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.25 177.447 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.4 pmm? . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 4.4 Cg_exo -78.41 -9.72 16.18 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.111 2.541 . . . . 0.0 111.567 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.473 ' HB3' ' SD ' ' A' ' 6' ' ' MET . 9.7 m-20 -64.14 122.14 75.91 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.23 178.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.22 -27.59 19.64 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 122.683 2.255 . . . . 0.0 112.595 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.9 tp -144.78 -99.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.311 -177.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 3' ' ' ASP . 1.3 mpt? 69.7 -50.23 0.62 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.621 0.769 . . . . 0.0 113.024 174.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -75.18 -5.51 44.8 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -97.88 5.65 48.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.217 0.532 . . . . 0.0 110.234 174.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.83 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 26.7 mt-30 -108.96 108.9 19.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.206 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.55 ' O ' ' HA ' ' A' ' 25' ' ' THR . 12.3 p-10 -87.43 171.42 10.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.797 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.635 HD22 ' H ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -106.74 140.62 39.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.327 0.584 . . . . 0.0 111.996 -171.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 81' ' ' ALA . 77.0 m-85 -122.24 136.94 54.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.652 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 79' ' ' TRP . 59.8 t -87.52 107.62 17.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -87.49 117.75 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.39 0.614 . . . . 0.0 110.998 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.2 mt -108.41 101.92 11.07 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.72 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.671 ' HB3' ' O ' ' A' ' 19' ' ' GLN . 5.6 tp10 -84.49 149.05 26.2 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 171.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' ' 75' ' ' LYS . 34.0 m -66.93 -41.19 87.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.973 0.416 . . . . 0.0 110.592 -176.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.442 ' H ' ' HG3' ' A' ' 16' ' ' GLU . 15.2 m120 -75.46 -56.55 4.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.901 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.671 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 3.5 pm0 -139.71 128.32 13.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 0.0 110.568 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.79 129.88 16.1 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.067 1.844 . . . . 0.0 112.216 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -89.69 -171.29 3.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.377 . . . . 0.0 110.714 -177.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -84.15 -174.2 5.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.495 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -98.28 116.01 29.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.253 0.549 . . . . 0.0 109.673 173.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.02 166.84 11.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.512 -177.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.83 ' HB ' ' HB3' ' A' ' 9' ' ' GLN . 44.7 p -84.86 171.51 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -173.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.84 -51.24 30.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.923 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.562 HD13 ' HG2' ' A' ' 9' ' ' GLN . 1.5 mp -63.94 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.317 -176.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.75 -43.05 76.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.604 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.1 tp -64.2 -38.34 90.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.627 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.47 -51.91 67.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.496 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -67.36 -31.59 71.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.031 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.86 -50.74 69.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.931 0.396 . . . . 0.0 110.161 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.19 -39.42 94.6 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.933 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -57.75 -43.79 85.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.179 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.86 -46.59 91.3 Favored Glycine 0 C--O 1.236 0.267 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.526 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.571 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 29.2 mm-40 -68.57 -32.61 72.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 tp -71.23 -38.72 71.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.795 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -74.66 -15.09 60.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.881 0.372 . . . . 0.0 110.129 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -82.96 -14.47 54.02 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.032 0.444 . . . . 0.0 110.245 173.328 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.502 HD12 ' HG2' ' A' ' 39' ' ' LYS . 1.4 mp -93.24 141.01 15.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.415 178.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.65 153.06 40.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.165 -179.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -68.09 -25.5 65.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.284 0.564 . . . . 0.0 110.952 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 p -86.35 0.86 53.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.138 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.37 -21.26 10.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.335 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -82.88 147.62 55.18 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.782 0.325 . . . . 0.0 111.119 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.514 ' HD2' HD12 ' A' ' 49' ' ' LEU . 52.7 Cg_exo -54.14 154.97 16.55 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.571 2.847 . . . . 0.0 113.45 -178.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.5 tp -61.63 -31.21 71.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.027 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -54.6 -41.12 69.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.309 0.576 . . . . 0.0 110.706 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.568 ' HB2' HD13 ' A' ' 45' ' ' LEU . 34.2 mt -75.26 -16.31 60.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.54 -176.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -83.69 -21.31 32.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.285 0.564 . . . . 0.0 110.145 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -82.11 -26.87 33.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.153 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . 92.3 mt -87.41 106.79 18.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.503 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.42 -6.38 49.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.701 -174.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -112.95 124.28 52.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.599 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 34.4 tp -55.77 -49.37 93.21 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.945 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 11.6 Cg_endo -57.36 -37.5 97.4 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 121.931 1.754 . . . . 0.0 112.472 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.71 78.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.895 0.378 . . . . 0.0 110.793 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.552 ' HB3' HD22 ' A' ' 49' ' ' LEU . 78.9 mt-30 -60.58 -51.39 69.6 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.153 176.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -65.81 -33.17 75.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.113 179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.5 tm0? -65.64 -43.29 89.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -55.94 -38.18 69.98 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.148 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' HB3' ' CZ2' ' A' ' 79' ' ' TRP . 93.7 mt -60.82 -58.88 6.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.035 175.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.449 ' HA ' ' HE1' ' A' ' 79' ' ' TRP . 90.8 mt -49.92 -41.45 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.303 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.37 -59.8 3.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 t -133.65 -22.18 1.92 Allowed 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -168.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.3 m -121.34 123.95 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.393 -0.817 . . . . 0.0 111.462 -172.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 61.8 m -126.63 101.92 6.86 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.481 -176.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -173.97 138.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.766 173.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.7 tp -159.6 111.22 2.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.905 0.383 . . . . 0.0 110.975 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -79.05 104.66 9.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.411 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.558 HG23 ' HE3' ' A' ' 75' ' ' LYS . 15.8 m -100.64 19.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.513 -174.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.574 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 115.49 140.42 7.07 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.525 172.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 62.42 16.56 8.72 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.15 5.39 73.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.802 -0.714 . . . . 0.0 113.249 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 51.4 pttt -91.42 143.84 26.2 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.463 176.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -116.24 133.7 55.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.016 -175.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.427 HD22 ' HG3' ' A' ' 36' ' ' GLU . 34.3 tp -87.54 112.63 22.45 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 173.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -115.47 157.68 23.64 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.463 -173.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.465 ' CZ2' ' HB3' ' A' ' 62' ' ' LEU . 29.0 p90 -160.46 147.62 15.88 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.684 0.278 . . . . 0.0 110.53 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -140.99 147.45 38.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.961 170.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.444 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -86.93 114.02 23.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.061 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 m -93.37 102.59 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.476 0.655 . . . . 0.0 109.908 175.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -116.75 163.96 15.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.845 -177.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 tt -72.66 83.87 1.16 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.885 0.374 . . . . 0.0 110.355 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.54 144.2 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.031 -0.986 . . . . 0.0 112.975 175.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -69.86 107.5 3.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.096 178.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 91.1 mt -89.87 -20.96 22.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.114 -176.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -87.94 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 61.0 18.43 8.91 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.117 0.485 . . . . 0.0 111.628 172.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -139.27 147.02 41.12 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -91.18 -35.97 14.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.626 0.251 . . . . 0.0 110.926 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -60.55 -48.44 81.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.048 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -100.26 -44.11 6.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.549 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 117.713 -1.137 . . . . 0.0 108.794 -168.012 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -89.43 -7.78 4.8 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 123.133 2.555 . . . . 0.0 113.23 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -132.04 118.99 16.57 Favored Pre-proline 0 C--N 1.327 -0.383 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.024 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.19 -177.53 3.31 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.012 2.474 . . . . 0.0 113.206 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.659 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.6 pt? -82.06 -179.58 7.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.159 -178.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.1 ptm -82.7 41.46 0.73 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.715 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.3 t80 66.32 92.6 0.08 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.691 0.758 . . . . 0.0 112.462 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.61 37.58 0.82 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.994 171.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.409 HE21 ' HB ' ' A' ' 25' ' ' THR . 21.9 mt-30 -59.18 127.19 30.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.074 -177.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.526 ' OD2' ' HD2' ' A' ' 83' ' ' ARG . 2.7 m-20 -67.47 155.28 39.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.711 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -106.9 123.71 48.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.102 0.477 . . . . 0.0 110.36 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -113.55 134.05 54.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.92 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.532 HG22 ' HB3' ' A' ' 23' ' ' PHE . 80.9 t -88.64 107.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.1 t -92.36 115.39 31.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.939 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.7 mt -91.05 105.4 17.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.246 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -108.69 158.82 17.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.975 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.417 ' HB ' ' CB ' ' A' ' 75' ' ' LYS . 26.8 m -87.57 -10.74 50.73 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -172.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -81.53 -71.0 0.5 Allowed 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.013 -0.429 . . . . 0.0 111.725 -174.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -135.1 154.36 78.96 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.487 0.184 . . . . 0.0 110.727 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.52 127.72 20.58 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.184 1.922 . . . . 0.0 111.064 174.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -133.46 168.27 18.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.445 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.15 173.1 6.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.798 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.532 ' HB3' HG22 ' A' ' 13' ' ' VAL . 15.8 p90 -64.83 130.63 44.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.638 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -115.14 165.24 13.13 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.176 -178.747 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.409 ' HB ' HE21 ' A' ' 9' ' ' GLN . 78.1 p -82.7 170.47 15.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.684 0.278 . . . . 0.0 111.306 -175.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 m -52.04 -42.7 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.664 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 47.0 mm -64.45 -44.33 97.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.189 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . 4.6 mm-40 -66.45 -38.17 86.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.277 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.83 -41.75 99.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.205 176.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 31.7 mt -53.86 -50.61 65.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.991 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.36 -39.39 94.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.271 -176.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -63.22 -48.98 75.99 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.878 176.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.33 -47.68 84.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.761 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -59.74 -42.42 93.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.632 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.69 -51.11 59.71 Favored Glycine 0 C--O 1.237 0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.561 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -68.48 -35.59 77.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.905 0.383 . . . . 0.0 110.237 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -67.08 -39.4 86.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.516 -177.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.46 -28.53 62.99 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.022 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.89 3.07 49.84 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.871 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.519 HG22 HD23 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -93.71 144.34 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 172.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.447 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 27.4 t -63.78 147.59 51.36 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.02 -21.74 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.548 -174.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.9 p -95.94 -6.03 40.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.155 0.502 . . . . 0.0 110.763 176.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' HB2' ' HB3' ' A' ' 41' ' ' SER . 33.9 t70 -91.42 -25.05 19.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.143 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 49' ' ' LEU . 3.5 pp -88.7 151.39 47.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.75 177.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.524 ' HD2' HD12 ' A' ' 49' ' ' LEU . 52.0 Cg_exo -55.62 155.67 20.82 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.418 2.745 . . . . 0.0 113.597 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 56.6 tp -60.07 -30.26 69.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.194 -177.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -52.67 -45.49 66.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.43 0.633 . . . . 0.0 110.504 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.756 ' HB2' HD13 ' A' ' 45' ' ' LEU . 21.3 mt -80.85 -14.06 58.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.047 -175.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -80.76 -27.58 36.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.853 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 35.7 mmtp -78.41 -35.76 46.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.912 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 58' ' ' GLN . 76.1 mt -77.84 112.68 14.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.064 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.67 -43.31 94.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.417 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 m -96.1 126.17 41.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.535 -170.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.558 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 49.3 tp -52.18 -47.27 92.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.442 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 55' ' ' LEU . 9.8 Cg_endo -53.53 -35.61 77.26 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 122.314 2.01 . . . . 0.0 112.611 176.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.76 -36.15 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.491 ' HB3' HD22 ' A' ' 49' ' ' LEU . 78.0 mt-30 -58.14 -54.8 42.83 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.624 178.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 62' ' ' LEU . . . -66.5 -28.85 68.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.082 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.29 -40.48 81.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.29 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 64' ' ' ASP . 31.2 t60 -68.67 -26.87 65.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.46 178.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.423 HD22 ' CB ' ' A' ' 67' ' ' CYS . 72.9 mt -60.15 -53.54 56.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 174.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.35 -33.67 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.236 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 61' ' ' HIS . 12.3 t70 -55.76 -47.51 76.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.181 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.4 p -106.93 -76.54 0.61 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.416 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.9 p 162.37 163.23 0.02 OUTLIER 'General case' 0 C--O 1.232 0.182 0 C-N-CA 124.009 0.923 . . . . 0.0 108.947 -172.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.498 ' HB3' ' HH2' ' A' ' 79' ' ' TRP . 45.9 t -171.26 144.07 1.97 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.933 0.396 . . . . 0.0 110.794 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -104.74 116.37 31.92 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.2 tp -125.49 124.25 40.95 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.726 -0.389 . . . . 0.0 111.691 -169.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.87 119.67 26.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 168.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.486 HG23 ' HG3' ' A' ' 75' ' ' LYS . 15.8 m -105.98 10.74 9.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -176.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 75' ' ' LYS . . . 66.56 -166.8 38.28 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.987 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.05 17.32 10.04 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 122.985 0.514 . . . . 0.0 111.363 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.58 25.83 75.07 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.339 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 72' ' ' GLY . 24.4 pttm -131.5 151.79 51.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.778 0.323 . . . . 0.0 110.486 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -110.57 159.58 17.42 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.4 tp -132.91 112.21 11.7 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -137.94 149.14 45.92 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.498 ' HH2' ' HB3' ' A' ' 67' ' ' CYS . 33.4 p90 -129.97 138.31 50.78 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.429 -178.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -138.17 137.71 37.89 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 172.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.04 131.09 38.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.277 -175.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.8 m -111.09 103.69 15.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.507 0.67 . . . . 0.0 110.404 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.526 ' HD2' ' OD2' ' A' ' 10' ' ' ASP . 17.5 mtp180 -125.52 120.59 31.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.704 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.9 tp -111.46 -81.58 0.58 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.451 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 65.06 144.46 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 O-C-N 123.817 0.698 . . . . 0.0 110.659 -175.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 3.4 mppt? -70.2 131.83 44.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.0 mp -80.95 64.07 5.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.302 0.572 . . . . 0.0 110.702 -175.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' A' ' 89' ' ' HIS . 1.3 tm-20 -135.64 -133.56 0.15 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 176.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.496 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 73.5 m-70 58.77 27.34 15.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.795 0.331 . . . . 0.0 110.254 -177.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -65.71 -37.08 85.45 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -83.08 93.29 7.57 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 165.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -70.71 125.25 26.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.445 -170.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.4 t60 73.49 -62.72 0.46 Allowed 'General case' 0 N--CA 1.465 0.275 0 O-C-N 124.283 0.99 . . . . 0.0 110.478 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.687 -0.673 . . . . 0.0 109.373 178.885 . . . . . . . . 0 0 . 1 stop_ save_